Meetings

Meeting Presentations

APS April Meeting 2020

Session D

D15. Numerical Relativity: Algorithms and Code Development
- D15.00001: Progress toward simulating merging black holes with SpECTRE
  Geoffrey Lovelace
- D15.00002: SpECTRE Cauchy Characteristic Evolution
  Jordan Moxon, Mark Scheel, Saul Teukolsky
- D15.00003: Computing the Electric Part of the Weyl Curvature Tensor with SpECTRE
  Sierra Thomas, Geoffrey Lovelace
- D15.00004: Numerical relativity with the new Nmesh code
  Wolfgang Tichy, Ananya Adhikari, Liwei Ji
- D15.00006: BlackHoles@Home Status Report
  Zach Etienne

Session G

G18. Numerical Relativity: Magnetohydrodynamics
- G18.00001: Spritz: general relativistic magnetohydrodynamics with neutrinos
  Federico Cipolletta
- G18.00002: Ameliorating the Courant Limitation on Vacuum and GRMHD Simulation in Spherical-Polar Coordinates:
  Yosef Zlochower, Vassilios Mewes, Manuela Campanelli, Zachariah Etienne, Thomas Baumgarte
- G18.00003: MHD Simulations of the Papaloizou-Pringle Instability in Massive Tori Around Spinning Black Holes in Full GR
  Erik Wessel, Vasilios Paschalidis, Antonios Tsokaros, Milton Ruiz

Session L

L04. Sensitive Reaction Studies for Nuclear Astrophysics
- L04.00001: Nuclear inputs and their impact on the r-process
  Matthew Mumpower

Session R

R18. Numerical Relativity: Neutron Stars and Other Sources with Matter
- R18.00002: Binary Black Hole Neutron Star Initial Data
  Alireza Rashti, Wolfgang Tichy
- R18.00004: Effects of Phase Transitions in Neutron Stars
  Steven Liebling

Session X

X14. Computational Physics I
- X14.00001: The L\"{u}scher method for scattering on the lattice
  Frank Lee, Andrei Alexandru
- X14.00005: The Hiperwall tiled-display wall system for Big-Data research.
  Muhammad Saleem
- X14.00007: Modeling Charge and Light Yields in Liquid Argon with NEST
  Justin Mueller

Session Y

Y14. Computational Physics II
- Y14.00004: Numerical construction of Non-Abelian vortices in holographic superconductors
  Adam Peterson, Roberto Auzzi, Gianni Tallarita
- Y14.00005: Parallel Adapative Monte Carlo Optimization, Sampling, and Integration in C/C++, Fortran, MATLAB, and Python
  Shashank Kumbhare, Amir Shahmoradi
- Y14.00006: Optimization of an axial injection plasma torch using numerical analysis
  Ilker Uzun-Kaymak, Giray Mecit, Devrim Ozdemir, Ece I. Sungur

APS March Meeting 2020

Session A

A25. Thermodynamics of Biological and Artificial Computation
- A25.00001: Thermodynamics of Open Chemical Reaction Networks: Theory and Applications
  Massimiliano Esposito
- A25.00003: Trade-Offs between Error, Speed, Noise and Energy Dissipation in Biological Processes with Proofreading
  Joel Mallory, Anatoly Kolomeisky, Oleg Igoshin
- A25.00006: An Energy-Accuracy Tradeoff for Nonequilibrium Receptors
  Sarah Harvey, Subhaneil Lahiri, Surya Ganguli
- A25.00007: Functional Thermodynamics for Arbitrary Mawellian Ratchets
  Alexandra Jurgens, James Crutchfield
A39. First-Principles Modeling of Excited-State Phenomena in Materials I: Plasmons, Phonons, Photons, and Spins
- A39.00005: Spin-phonon relaxation in diverse materials from a universal ab initio density matrix approach
  Junqing Xu, Adela Habib, Sushant Kumar, Feng Wu, Ravishankar Sundararaman, Yuan Ping
- A39.00006: Predicting weak-to-strong light-matter coupling in cavities from first principles
  Derek Wang, Tomas Neuman, Johannes Flick, Prineha Narang
A40. Building the Bridge to Exascale: Applications and Opportunities for Materials, Chemistry, and Biology I
- A40.00003: Multibillion Atom Molecular Dynamics Simulations of Cellular Membranes
  Noah Trebesch, Emad Tajkhorshid
- A40.00009: DOE Software Center for Non-perturbative Studies of Functional Materials Under Non-equilibrium Conditions (NPNEQ)
  Tadashi Ogitsu, Xavier Andrade, Alfredo Correa, Liang Tan, David Prendergast, Sri Chaitanya Das Pemmaraju, Aaron Lindenberg
A41. 2D Magnetic Materials
- A41.00002: Magnetic field- and temperature-dependent resonant Raman spectroscopy of bulk CrI3
  Siwen Li, Zhipeng Ye, Xiangpeng Luo, Gaihua Ye, Shangjie Tian, Hechang Lei, Kai Sun, Rui He, Liuyan Zhao
- A41.00008: First-principles theory of proximity spin-orbit torque on a two-dimensional magnet: Current-driven antiferromagnet-to-ferromagnet reversible transition in bilayer CrI3
  Kapildeb Dolui, Marko Petrovic, Klaus Zollner, Petr Plechac, Jaroslav Fabian, Branislav Nikolic
- A41.00009: Large anomalous Nernst effect in a van der Waals ferromagnet Fe3GeTe2
  Jinsong Xu, William Phelan, Chia-Ling Chien
- A41.00015: Temperature Dependence of the Anomalous Hall Effect from Electron Interactions
  Songci Li, Alex Levchenko
A43. Precision Many-Body Physics I: Ab Initio Methods
- A43.00006: Electronic Structure of Strongly Correlated f-electron System: DFT+DMFT Approach
  Vijay Singh, Uthpala Herath, Benny Wah, Aldo Romero, Hyowon Park
- A43.00007: Kondo route to quantum interference in prototypical single molecule transistors
  Sudeshna Sen, Andrew Mitchell
- A43.00009: Out of equilibrium thermometry with pump-probe x-ray photoemission spectroscopy
  Oleh Matvyeyev, Andrij Shvaika, James Freericks
- A43.00013: A Multiorbital Quantum Impurity Solver for General Interactions and Hybridizations
  Eitan Eidelstein, Emanuel Gull, Guy Cohen
A44. Real-Space Methods for the Electronic Structure Problem I
- A44.00005: Treecode-Accelerated Green's Iteration for Kohn-Sham DFT
  Nathan Vaughn, Robert Krasny, Vikram Gavini
- A44.00008: Reduce Noise in Stochastic Density Functional Theory
  Ming Chen, Daniel Neuhauser, Roi Baer, Eran Rabani
- A44.00009: A general approach towards continuous translational symmetry in finite difference real-space calculations
  Tian Qiu, Leeor Kronik, Andrew Rappe
- A44.00011: Fast all-electron density functional theory calculations in solids using orthogonalized enriched finite elements
  Nelson David Rufus, Bikash Kanungo, Vikram Gavini
A45. Understanding Glasses and Disordered Systems Through Computational Models I
- A45.00004: Connecting thermal relaxation to local yield stress in glassy systems
  Matthias Lerbinger, Armand Barbot, Sylvain Patinet, Damien Vandembroucq
- A45.00006: Understanding shear bands characteristics and formation in model glasses through the measure of the local yield stress.
  Armand Barbot, Matthias Lerbinger, Anaël Lemaître, Damien Vandembroucq, Sylvain Patinet
- A45.00011: Interplay between rearrangements, strain, and softness and during avalanche propagation
  Ge Zhang, Sean Ridout, Andrea Liu
A47. Proximity Effects and Spin Transport in Complex Oxides
- A47.00011: Low Magnetic Damping in Epitaxial Li_0.5Fe_2.5O₄ Thin Films
  Xin Yu Zheng, Lauren Riddiford, Jacob Wisser, Yuri Suzuki
A53. 2D Semiconductors: Transport and Devices
- A53.00009: Photo-Induced Anomalous Hall Effect in 2D Transition-Metal Dichalcogenide
  Phuong Nguyen, Wang Kong Tse
A58. DFT and Beyond I
- A58.00001: The Predictive Power of Exact Constraints and Appropriate Norms in Density Functional Theory
  John Perdew
- A58.00004: Analysis of over-magnetization of elemental transition metal solids from the SCAN and three related density functionals.
  Daniel Mejia-Rodriguez, Sam Trickey
- A58.00006: Assessment of SCAN and regularized SCAN functional with and without self-interaction correction
  Alan Salcedo, Yoh Yamamoto, Tunna Baruah, Rajendra Zope
- A58.00007: Systematizing Approximate Density Functional Design
  Aaron Kaplan, James Furness, Jianwei Sun, John Perdew
- A58.00010: Self-interaction correction and dielectric properties of molecules
  Kushantha Withanage, Alexander Johnson, Juan Peralta, Yoh Yamamoto, Rajendra Zope, Tunna Baruah, Koblar Jackson
- A58.00012: Assisting the performance of self-interaction-corrected SCAN meta-GGA functional using an orbital scaling approach
  Yoh Yamamoto, Rajendra Zope, Tunna Baruah
A61. Fe-Based Superconductors - Nematicity I
- A61.00002: Quantum critical nematic fluctuations and spin excitation anisotropy in the iron pnictides*
  Chia-Chuan Liu, Elihu Abrahams, Qimiao Si
- A61.00004: Nematic and Antiferromagnetic Quantum Criticality in a Multi-Orbital Hubbard Model for Iron Pnictides
  Lei Chen, Wenjun Hu, Haoyu Hu, Rong Yu, Hsin-Hua Lai, Luca Fausto Tocchio, Federico Becca, Qimiao Si
- A61.00009: Theoretical study on the iron-based two-leg ladder tellurides
  Yang Zhang, Ling-fang Lin, Adriana Moreo, Shuai Dong, Elbio Dagotto
- A61.00012: Resistivity and Magnetic Susceptibility Under Pressure (0–2.0 GPa) of Fe_1+εTe0.5Se_0.5 and R_1-xCe_xNiO₃ [R = (La,Y), Pr]*
  Zachary Kuklinski, Gregorio Ponti, Quinn D. B. Timmers, Rabia Husain, John Markert

Session B

B20. Physics of Proteins: Progress on Structure-Function Relationships II
- B20.00001: The Incredible Secret Electronic Life of Proteins
  Stuart Lindsay
- B20.00003: Domain Swapping in Crystallin Proteins Can Drive Early Stages of Cataract Formation
  Govardhan Patluri
B36. Room temperature superconductivity in superhydrides at extreme pressures
- B36.00001: Clathrate Superhydrides Under High Pressure: A Class of Extraordinarily Hot Conventional Superconductors
  Yanming Ma
- B36.00005: Superconductivity in Yttrium and Thorium Polyhydrides: a Route to Industrial Applications
  Dmitrii Semenok, Ivan Troyan, Xiaoli Huang, Artem Oganov
B39. First-principles modeling of excited-state phenomena in materials II: GW+BSE for Strong Correlation and Core Levels
- B39.00007: Cumulant expansion of the exciton Green's function: A unified approach for many-body intrinsic, extrinsic, and interference effects in XAS
  Joshua Kas, John Rehr, John Vinson
- B39.00013: Low-cost alternatives to the Bethe-Salpeter equation: a simple hybrid functional for excitonic effects in solids
  Jiuyu Sun, Carsten Ullrich
B40. Building the bridge to exascale: applications and opportunities for materials, chemistry, and biology II
- B40.00006: Accessible and collaborative web interface for HPC materials simulations
  Timur Bazhirov
- B40.00008: Electronic density and atomic forces in solids by plane-wave auxiliary-field quantum Monte Carlo
  Siyuan Chen, Mario Motta, Fengjie Ma, Shiwei Zhang
- B40.00011: RuCl3 electronic structure by quantum Monte Carlo
  Abdulgani Annaberdiyev, Cody Melton, Raymond Clay, Luke Shulenburger, Guangming Wang, Lubos Mitas
- B40.00012: Heavy-atom systems in quantum Monte Carlo: pseudopotentials and beyond
  Guangming Wang, Abdulgani Annaberdiyev, Cody Melton, Michael Bennett, Luke Shulenburger, Lubos Mitas
B43. Precision many-body physics II: Dynamics of 1D quantum systems
- B43.00001: Quantum Phase Transitions Go Dynamical
  Victor Gurarie
- B43.00002: Information measures for local quantum phase transitions: Lattice bosons in a one-dimensional harmonic trap
  Yicheng Zhang, Lev Vidmar, Marcos Rigol
- B43.00007: Nonequilibrium steady state of quantum impurities: A numerically-exact tensor-network approach
  Matan Lotem, Frauke Schwarz, Andreas Weichselbaum, Jan Von Delft, Moshe Goldstein
- B43.00011: Matrix Elements of Observables in Interacting Integrable Systems
  Tyler LeBlond, Krishnanand Mallayya, Lev Vidmar, Marcos Rigol
- B43.00013: Heating rates in periodically driven strongly interacting quantum many-body systems
  Krishnanand Mallayya, Marcos Rigol
B44. Real-Space Methods for the Electronic Structure Problem II
- B44.00002: Speeding up real-space based first-principles methods for excited-states properties using interpolative separable density fitting
  James Chelikowsky, Weiwei Gao
- B44.00004: Fast real-time time-dependent density functional theory calculations using higher-order finite element methods
  Bikash Kanungo, Vikram Gavini
- B44.00005: Recent Advances in the Development of the Octopus Code for GPUs
  Sebastian Ohlmann
B45. Understanding glasses and disordered systems through computational models II
- B45.00004: Cluster-flip colloidal and atomistic algorithms with background potentials
  Jaron Kent-Dobias, James Sethna
- B45.00005: Accelerated relaxation in amorphous materials under cyclic loading with alternating shear orientation
  Nikolai Priezjev
- B45.00009: Computational generation of voids in a-Si and a-Si:H by cavitation at low density
  Enrique Guerrero, David Strubbe
- B45.00013: Many-body localization to spin glass phase transition in disordered spin-chain system
  Zeyang Li, Pai Peng
B57. 2D Semiconductors: Optical Spectroscopy
- B57.00005: Candidates for the origin of many-body spectral features in monolayer WSe2.
  Dinh Van Tuan, Hanan Dery
- B57.00008: Tunable Spontaneous Valley Coherence in Atomically Thin Semiconductors
  Mandar Sohoni, Muralidhar Nalabothula, Pankaj Jha, Tony Low, ANSHUMAN KUMAR
B58. DFT and Beyond II
- B58.00001: On the Constrained Search-Coordinate Scaling Formulations in DFT
  Mel Levy
- B58.00009: Kohn-Sham effective potentials from FLOSIC using Ryabinkin-Kohut-Staroverov method
  Carlos Diaz, Luis Basurto, Rajendra Zope
- B58.00010: Performance of scaled self-interaction correction to semilocal functionals
  Puskar Bhattarai, Chandra Shahi, Kamal Wagle, Biswajit Santra, John Perdew
B61. Fe-Based Superconductors - Mayorana / Topological
- B61.00005: The Triplet Resonating Valence Bond State and Superconductivity in Hund's Metals: I Concept and Symmetries
  Piers Coleman, Yashar Komijani, Elio Koenig
- B61.00006: Title: The Triplet Resonating Valence Bond State and Superconductivity in Hund's Metals: II Mean-field theory
  Piers Coleman, Yashar Komijani, Elio Koenig
- B61.00008: Unconventional superconductivity and Hund's induced electron correlations: a Cooperative mechanism
  Laura Fanfarillo, Angelo Valli, Massimo Capone
- B61.00012: Topological bands in Fe(Se,Te)
  Tamaghna Hazra, Himanshu Lohani, Amit Ribak, Yuval Nitzav, Huixia Fu, Binghai Yan, Mohit Randeria, Amit Kanigel

Session D

D04. Water Dynamics in Different Environments: Experiment and Theory II. Ice
- D04.00005: Probing interfacial water by H-sensitive and non-invasive scanning probe microscopy
  Ying Jiang
- D04.00007: Nanoindentation of Ice Ih - Atomistic simulations
  Pedro Santos-Flórez, Carlos Ruestes, Maurice De Koning
D39. First-principles modeling of excited-state phenomena in materials III: GW+BSE for Polarons and Optical Excitations
- D39.00004: Deep ultraviolet luminescence and charge-transfer excitons in atomically thin GaN quantum wells
  Woncheol Lee, Dylan Bayerl, Nocona Sanders, Zihao Deng, Emmanouil Kioupakis
- D39.00005: Analysis of diagonal G and subspace W approximations within fully self-consistent GW calculations for bulk semiconducting systems
  Yashpal Singh, Lin-Wang Wang
- D39.00007: Self-consistent GW method for solids: efficient implementation
  Andrey Kutepov
D40. Building the Bridge to Exascale: Applications and Opportunities for Materials, Chemistry, and Biology III
- D40.00002: Enabling First Principles Multiscale-Multiphysics Simulations of Complex Thermo-Fluid Systems Through Exascale Computing
  Joseph Oefelein, Kyle Schau, Ramanan Sankaran
- D40.00009: Accelerate Science on Perlmutter with NERSC
  Charlene Yang, Jack Deslippe
D41. Emergent magnetism in correlated electron systems I
- D41.00006: Finite, disordered chains of local and correlated moments in transition metal oxides
  Jack Simonson, Cristian Franco, Allison Wustrow, Alicia Baccarella, Jaylyn Umana, Francisco Burgos, Lucia Steinke, Eric Dooryhee, Meigan Aronson, James Neilson
- D41.00011: Quantum-to-classical correspondence in two-dimensional Heisenberg models
  Tao Wang, Xiansheng Cai, Kun Chen, Nikolai Prokof'ev, Boris Svistunov
D42. Emergent Magnetism in Oxide Films and Heterostructures
- D42.00008: Effects of Three-Dimensional Strain on LaCoO₃ Thin Films
  Ronaldo Rodriguez, Toyanath Joshi, David Belanger, David Lederman
D43. Electrons, Phonons, Electron Phonon Scattering, and Phononics I
- D43.00004: A hydrodynamic description of the vibrational modes of ordered and disordered systems.
  matteo baggioli, alessio zaccone
- D43.00005: Angular momentum radiation from current-carrying molecular junctions
  Zuquan Zhang, Jing-Tao Lü, Jian-Sheng Wang
- D43.00006: Ultrafast dynamics of hot carriers in bulk semiconductors and in accumulation layer: energy relaxation and screening effects.
  Jelena Sjakste
- D43.00007: Finite temperature full multiple scattering calculation of ultrafast x-ray absorption spectroscopy
  Tun Sheng Tan, John Rehr, Joshua Kas
- D43.00009: Nanoscale Friction Control in Transition Metal Dichalcogenides
  Antonio Cammarata, Tomas Polcar
- D43.00010: Electrical tuning of vibrational modes in transition metal dichalcogenides
  Florian Belviso, Tomas Polcar, Antonio Cammarata
- D43.00011: Effect of the presence of small molecule of contaminants on nanofriction in layered MX2 Transition Metal Dichalcogenides: An ab initio investigation
  Jamil Missaoui, Tomas Polcar, Antonio Cammarata
D44. Real-Space Methods for the Electronic Structure Problem III
- D44.00002: Dielectric response of aligned SWCNT films: A theoretical versus experimental study
  Chandra Adhikari, Igor Bondarev
- D44.00004: Superconductivity in heavily boron-doped carbon materials
  Yuki Sakai, James Chelikowsky, Marvin Cohen
- D44.00009: Nonlocal Density Embedding Theory
  Wenhui Mi, Michele Pavanello
D45. Understanding Glasses and Disordered Systems Through Computational Models III
- D45.00001: Understanding the boson peak in glasses and glassy polymers
  Alessio Zaccone
- D45.00009: Measuring configurational entropy of glasses using population annealing
  Chris Amey, Jonathan Machta
D58. DFT and Beyond III
- D58.00003: Imitating beyond-DFT calculations via external on-site potentials
  Nitin Kumar, Stephan Lany
- D58.00006: Understanding the interplay between hole localization and reactivity in photoionized water clusters using real-time Time-Dependent Density Functional Theory
  Vidushi Sharma, Marivi Fernandez Serra
- D58.00010: Predicting the accurate structural and energetic properties of copper-gold alloys using random phase approximation
  Niraj Nepal, Santosh Adhikari, Jefferson Bates, Adrienn Ruzsinszky
D61. Fe-Based Superconductors - Nematicity II
- D61.00001: Effect of pressure on the competing phases in FeSe and BaFe2As2: Insights from specific heat measurements and beyond
  Elena Gati, Li Xiang, Sergey Bud'ko, Paul Canfield
- D61.00004: Wang-Landau simulations of the coupled magnetic and nematic transitions in disordered iron-based superconductors
  Anzumaan Chakraborty, William Meese, Rafael Fernandes, Thomas Vojta

Session F

F04. Water Dynamics in Different Environments: Experiment and Theory III. Nanoconfined Water
- F04.00003: Hydrogen bonding structure of confined water templated by a metal-organic framework with open metal sites
  Kelly Hunter, Adam Rieth, Mircea Dinca, Francesco Paesani
F36. Molecular Dynamics Ex Machina: Successes and Challenges
- F36.00002: Construction and simulation proofs of reliable high-dimensional neural network atomic potentials
  Satoshi Watanabe, Koji Shimizu, Wenwen Li, Yasunobu Ando, Emi Minamitani, Seungwu Han
F39. First-principles modeling of excited-state phenomena in materials IV: GW+BSE for Low-Dimensional Materials and Interfaces
- F39.00001: Nonlinear optics from first-principles real-time approaches
  Myrta Grüning, Claudio Attaccalite
- F39.00010: Dependence of 2D nitride electronic and optical properties on heterostructure stacking orientation
  Nocona Sanders, Emmanouil Kioupakis
- F39.00011: Optical trap for two-dimensional excitons
  Hiroki Katow, Ryosuke Akashi, Yoshiyuki Miyamoto, Shinji Tsuneyuki
F40. Building the bridge to exascale: applications and opportunities for materials, chemistry, and biology IV
- F40.00002: Towards first-principles design of quantum devices
  Jacek Jakowski, Jerry Bernholc, Mina Yoon, David Lingerfelt, Wenchang Lu, Emil Briggs
- F40.00004: Driving exascale computational science with AiiDA
  Sebastiaan Huber, Giovanni Pizzi, Nicola Marzari
- F40.00012: Auxiliary-Field Quantum Monte Carlo Applied to Correlated Materials
  Fionn Malone, Joonho Lee, Shuai Zhang, Miguel Morales
- F40.00013: Magnetic and charge orders in the ground state of the 2D repulsive Hubbard model
  Hao Xu, Mingpu Qin, Hao Shi, Yuan-Yao He, Shiwei Zhang
F42. 2D Magnetic Materials II
- F42.00002: Probing Tunneling Magnetoresistances in Chromium Trihalide Junctions via First Principles Calculations
  Jonathan Heath, Marcelo Kuroda
F43. Precision many-body physics III: Non-perturbative QFT
- F43.00004: Viscous Topological Electromagnetic Phases of Matter
  Zubin Jacob
- F43.00011: Implicit renormalization approach to the problem of Cooper instability
  Andrey Chubukov, Nikolai Prokof'ev, Boris Svistunov
F44. Van Der Waals Interactions in Molecules, Materials, and Complex Environments I
- F44.00004: Characterization of van der Waals Interactions with Energy Decomposition Analysis
  Colin Egan, Francesco Paesani, ChingLin Chan, Joshua Figueroa
- F44.00005: Introducing vdW-DF3 — an accurate van der Waals Density Functional
  Debajit Chakraborty, Kristian Berland, Timo Thonhauser
- F44.00007: Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials
  Yan Yang, Ka Un Lao, Robert Distasio
F45. Modeling the electrochemical interface and aqueous solutions I
- F45.00003: Ion Pairing in Liquid Water: An Ab Initio Study
  Alec Wills, Marivi Fernandez Serra
- F45.00006: First-principles study of the hydrogen-bonding network in water at the biased electrode interface
  Juho Lee, Yong-Hoon Kim
- F45.00010: The Electrokinetic Transport of Multivalent Electrolytes: The Effect of Charge Inversion
  Andres Rojano, Jens Walther, Harvey Zambrano
F61. Fe-Based Superconductors - Inhomogeneous Order Parameter
- F61.00007: Visualization of impurity-induced magnetism in FeSe using scanning tunneling microscopy
  Sang Yong Song, Jungpil Seo
- F61.00008: High-field superconducting phase in FeSe investigated by spectroscopic-imaging scanning tunneling microscopy
  Tetsuo Hanaguri, Tadashi Machida, Yuki Sato, Shigeru Kasahara, Takasada Shibauchi, Yuji Matsuda
F70. Sensing, Interactions, and Fundamental Limits
- F70.00001: Enhanced deep water acoustic range estimation based on ocean General Circulation Models
  Peter Weichman

Session G

G34. Machine Learning and Data in Polymer Physics II
- G34.00003: Neural network for phase diagrams of polymer-containing liquid mixtures
  Issei Nakamura
- G34.00009: Parameter Estimation for Spatio-Temporal Models using Bayesian Optimisation and Gaussian Processes
  Nigel Clarke, Joao Cabral, Richard Wilkinson, Wil Ward, Sebastian Pont
G39. First-Principles Modeling of Excited-State Phenomena in Materials V: GW+BSE for Organic Materials
- G39.00006: First-principles G0W0 calculations for ferrocene, anthracene and porphyrin
  Masoud Mansouri, Peter Koval, Daniel Sanchez-Portal
- G39.00013: Electronic structure of semiconductor nanoparticles from stochastic evaluation of imaginary-time path integral: nonrelativistic U(1) lattice gauge theory in the Kohn-Sham basis
  Andrei Kryjevski
G40. Matter in Extreme Environments I: Advanced Experiments
- G40.00006: Magnetic Structure of the High-Pressure Phases of Holmium
  Christopher Perreault, Yogesh Vohra, Antonio Moreira Dos Santos, Jamie Molaison
G43. Precision Many-Body Physics IV: Novel Methods and Algorithms
- G43.00005: Measuring Rényi Entanglement Entropies in Lattice Worm Algorithm Quantum Monte Carlo
  Emanuel Casiano-Diaz, Chris Herdman, Adrian Del Maestro
G44. Van Der Waals Interactions in Molecules, Materials, and Complex Environments II
- G44.00010: Reproducibility of Molecular Adsorption Potential Energy Surfaces
  Lukas Hörmann, Andreas Jeindl, Oliver T. Hofmann
G45. Modeling the electrochemical interface and aqueous solutions II
- G45.00001: First-principles electrochemistry with grand-canonical DFT and continuum-solvation methods
  Ravishankar Sundararaman
- G45.00003: Probing electrochemical processes at surfaces and interfaces by a combination of ab-initio simulations and in-situ characterizations
  Xueqiang Zhang, Tuan Anh Pham, Brandon Wood, David Prendergast, Sylwia Ptasinska, Tadashi Ogitsu
- G45.00005: Probing Pseudocapacitive response of MXene electrodes for energy storage from first principles
  Francisco Marques dos Santos Vieira, Yasuaki Okada, Nathan Keilbart, James Goff, Kosuke Shiratsuyu, Ismaila Dabo
- G45.00007: Continuum models to handle electrolyte solutions effects in first-principles simulations of materials
  Oliviero Andreussi
G58. DFT and Beyond V
- G58.00007: Effect of functional -NH2 groups on sensitization of 3,6-diaminocarbazole towards Picric Acid
  Vishal Kumar, Soumitra Satapathi
- G58.00009: Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study
  Ariela Kaspi-Kaneti, Srijana Bhandari, Barry Dunietz
- G58.00010: Detection of DNA nucleotides with Nanopores and Nanogaps from 2D Materials beyond Graphene: First Principle Studies
  Benjamin Tayo
- G58.00011: Electronic and optical properties of halide perovskite quantum dots: a DFT and TDDFT study.
  Athanasios Koliogiorgos, Tomas Polcar
G61. Fe-Based Superconductors - Vortex Properties / Magnetic Superconductors
- G61.00001: Transport properties and flux pinning analysis of high-performance FeAs122 superconducting wires
  Yanwei Ma

Session J

J04. Water Dynamics in Different Environments: Experiment and Theory IV. Bulk Water and Solute Hydration
- J04.00003: The SCAN330 dataset of first-principles molecular dynamics simulations of water
  Michael LaCount, Francois Gygi
- J04.00011: Lysozyme Solution-State Tertiary Structure Measured in Protic and Aprotic Ionic Liquid Aqueous Mixtures
  Ian Reyes, Jose Banuelos
J39. First-principles modeling of excited-state phenomena in materials VI: GW+BSE Theory Development
- J39.00004: Equation of motion coupled-cluster approach for multi-electron excitations in x-ray spectra
  John Rehr, Fernando Vila, Joshua Kas, Karol Kowalski, Bo Peng
- J39.00005: Real-time EOM-CCS Green's function method for the core spectral functions
  Fernando Vila, John Rehr, Bo Peng, Karol Kowalski
- J39.00006: Neutral Excitation Energies of Crystalline Solids from Periodic Equation-of-Motion Coupled-Cluster Theory
  Xiao Wang, Timothy Berkelbach
J40. Matter in Extreme Environments II: Liquids, Geological, and Complex Materials
- J40.00007: Ab initio simulation of heat and charge transport in water at planetary pT conditions
  Federico Grasselli, Lars Stixrude, Stefano Baroni
J44. Electrons, Phonons, Electron Phonon Scattering, and Phononics II
- J44.00004: Continuity of phonon dispersion curves in layered ionic crystals
  Natalie A Holzwarth, Yan Li, William Kerr
- J44.00005: Theoretical Analysis of Vibrational Lineshapes from Molecular Dynamics
  Andrew Cupo, Damien Tristant, Kyle Rego, Vincent Meunier
- J44.00010: Ab-initio calculation of Seebeck coefficient of transition-metal elements
  Hisazumi Akai, Sonju Ko
J45. Emerging Trends in Molecular Dynamics Simulations and Machine Learning I
- J45.00007: Molecular dynamics density and viscosity simulations of alkanes
  Pavao Santak, Gareth Conduit
- J45.00008: Study of the microstructure of amorphous silicon and its effect on Li transportation with neural network potential
  Wenwen Li, Yasunobu Ando
- J45.00009: Relative entropy indicates an ideal concentration for structure-based coarse graining of binary mixtures
  David Rosenberger, Nico van der Vegt
J57. 2D Semiconductors: opto-magnetic properties
- J57.00002: Spin relaxation in InSe probed by time-resolved Kerr rotation
  Jovan Nelson, Teodor Stanev, Trevor LaMountain, Haolin Chen, Nathaniel Stern
- J57.00007: Spin-orbit coupling, exchange, and magnetism in exciton physics of 2D semiconductors
  Meng Wu, Zhenglu Li, Ting Cao, Steven Louie
J58. DFT and Beyond VI
- J58.00006: Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms?
  Biswajit Santra, John Perdew
- J58.00007: Constrained optimization of Fermi-orbital descriptors
  Kai Trepte, Juan Peralta, Koblar Jackson
- J58.00009: Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters
  Kamal Wagle, Biswajit Santra, Kamal Sharkas, Sharmin Akter, Rajendra Zope, Tunna Baruah, Koblar Jackson, Juan Peralta, John Perdew
- J58.00010: Study of water cluster anions using the self-interaction corrected density functional approximations
  Jorge Vargas, Peter Ufondu, Tunna Baruah, Koblar Jackson, Rajendra Zope

Session L

L36. {$PICUP}: Integrating Computation in Introductory and Upper-Level Physics Courses
- L36.00001: Integrating computation using materials from the PICUP collection in Introductory Physics
  Marie Lopez del Puerto
- L36.00004: Modern Computer Applications in the Advanced Laboratory
  Daniel Borrero-Echeverry
L39. Machine Learning for Quantum Matter I
- L39.00001: Classifying Snapshots of the Doped Hubbard Model with Machine Learning
  Annabelle Bohrdt, Christie Chiu, Geoffrey Ji, Muqing Xu, Daniel Greif, Markus Greiner, Eugene Demler, Fabian Grusdt, Michael Knap
- L39.00003: Unsupervised machine learning of topological phase transitions
  Joaquin Rodriguez Nieva, Mathias Scheurer
- L39.00005: Unsupervised learning of quantum phase transitions using nonlinear dimension reduction methods
  Alexander Lidiak, Zhexuan Gong
- L39.00006: Machine learning the Mattis glass transformation
  Daniel Lozano-Gomez, Darren Pereira, Michel J Gingras
- L39.00010: Unsupervised learning of topological indices
  Oleksandr Balabanov, Mats Granath
- L39.00013: Neural-Network Approach to Dissipative Quantum Many-Body Dynamics
  Michael Hartmann, Giuseppe Carleo
L40. Matter in Extreme Environments III: Warm Dense Matter
- L40.00007: Accurate Calculations of a Solid State Test Set with Quantum Monte Carlo Methods
  Cody Melton, Jaron Krogel, Fionn Malone, Miguel Morales, Luke Shulenburger
L42. Spin Phenomena in Nonmagnetic 2D Materials
- L42.00001: Extracting spin-orbit coupling strength using realistic device simulations
  Bas Nijholt, Georg Winkler, Jukka Vayrynen, Guanzhong Wang, Gijs De Lange, Luca Binci, Alberto Bordin, Roman Lutchyn
- L42.00009: Group-IV tellurides as a route towards all-in-one spin transistors
  Jagoda Slawinska, Frank Cerasoli, Priya Gopal, Stefano Curtarolo, Marco Buongiorno Nardelli
- L42.00012: Highly tunable nonlinear Hall effects induced by spin-orbit couplings in strained polar transition-metal dichalcogenides
  Cheng-Ping Zhang, Tong Zhou, Kam Tuen Law
- L42.00013: Research on the valley-related properties based on multilayer transition metal dichalcogenides
  Hongming Guan, Ning Tang, Xiaoyue Zhang, Xingchen Liu, Weikun Ge, Bo Shen
L43. First-principles modeling of excited-state phenomena in materials VII: Electronic excitations: DFT and Beyond
- L43.00002: Towards a systematic multi-scale method for excitations in molecular materials in the BigDFT code
  Martina Stella, Laura Ratcliff, Luigi Genovese
- L43.00007: Density Functional Theory-based study of charge transfer in doped silicon nanowire with gold leads: A toy model for the p-n junction photovoltaic device
  Nathan Walker, Dmitri Kilin, Andrei Kryjevski
- L43.00008: HJ-Aggregate Theory Applied to Interacting SP³-Hybridization Defects in Carbon Nanotubes
  Braden Weight, Andrew Sifain, Brendan Gifford, Svetlana Kilina, Sergei Tretiak
L45. Emerging Trends in Molecular Dynamics Simulations and Machine Learning II
- L45.00006: Linearized machine learning potential with high-order rotational polynomial invariants for multi-component systems
  Atsuto Seko, Isao Tanaka
- L45.00013: Hunting FOX: Using Fragments to Sniff Out Drug Leads for Antibiotic Discovery
  Rachael Mansbach, Inga Leus, Jitender Mehla, Cesar Lopez, John Walker, Valentin Rybenkov, Nicolas Hengartner, Helen Zgurskaya, S Gnanakaran
L53. 2D Semiconductors: Magnetism
- L53.00001: Stacking dependent 2D magnetism
  Shiwei Wu
- L53.00007: Magneto-optical properties of CrI₃, CrBr₃ and CrCl₃ monolayers: chemical trends and excitonic effects
  Alejandro Molina-Sanchez, Gonçalo Catarina, Davide Sangalli, Joaquin Fernandez-Rossier
L61. Fe-Based Superconductors - Nematicity IV
- L61.00002: Evolution of soft phonons in FeSe under pressure
  Adrian Merritt, Frank Weber, Anna Boehmer, Kaushik Sen, John-Paul Castellan, Thomas Wolf, Sofia Souliou, Ahmet Alatas, Ayman Said, Wenli Bi, Rafael Fernandes, Dmitry Reznik
- L61.00007: Nematicity from spin correlations in iron-based superconductors
  Rong Yu, Yiming Wang, Wenjun Hu, Qimiao Si
- L61.00009: Exploring the electronic structure of BaFe₂As₂ using resonant Raman scattering
  Rudolf Hackl, Andreas Baum, Ying Li, Nenad Lazarevic, Daniel Jost, Jiun-Haw Chu, Ian Fisher, Roser Valenti, Igor Mazin

Session M

M34. Machine Learning in Nonlinear Physics and Mechanics
- M34.00002: Detecting Depinning and Nonequilibrium Transitions with Unsupervised Machine Learning
  Danielle McDermott, Cynthia Reichhardt, Charles Reichhardt
- M34.00005: Softness Correlations in Low-Temperature Supercooled Liquids
  Rahul Chacko, François Landes, Giulio Biroli, Olivier Dauchot, Andrea Liu, David Reichman
- M34.00010: Chaotic source separation solved by a tank of water through invertible generalized synchronization
  Zhixin Lu, Jason Kim, Danielle Bassett
M39. Machine Learning for Quantum Matter II
- M39.00002: Working without data: overcoming gaps in deep learning and physics-based extrapolation
  Isaac Tamblyn
- M39.00003: Machine learning models of properties of hybrid 2D materials as potential super lubricants
  Marco Fronzi, Mutaz Abu Ghazaleh, Olexandr Isayev, David Winkler, joe shapter, Michael Ford
M40. Matter in Extreme Environments IV: Superconductivity
- M40.00001: Room-Temperature Superconductivity in High-Pressure Hydrides: An electronic structure perspective
  Lilia Boeri
- M40.00003: Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride
  Ion Errea, Francesco Belli, Lorenzo Monacelli, Antonio Sanna, Takashi Koretsume, Terumasa Tadano, Raffaello Bianco, Matteo Calandra, Ryotaro Arita, Francesco Mauri, Jose Flores Livas
- M40.00005: Effect of pressure on the noncentrosymmetric antiferromagnet CeNiC2
  Jun Gouchi, Toru Shigeoka, Yoshiya Uwatoko
M41. Spin Phenomena in Nonmagnetic 2D Materials II
- M41.00003: Efficient intrinsic spin-to-charge current conversion in an all-epitaxial single-crystal perovskite-oxide heterostructure of La_0.67Sr_0.33MnO₃/LaAlO₃/SrTiO₃
  Shinobu Ohya, Daisei Araki, Le Duc Anh, Shingo Kaneta, Munetoshi Seki, Hitoshi Tabata, Masaaki Tanaka
- M41.00006: Novel Exciton Condensation and Lorenz Number in Graphene
  Sang-Boo Nam
M43. Computational Design and Discovery of Novel Materials I
- M43.00002: Corrosion-resistant magnesium alloy design based on the first-principles calculation
  Yaowei Wang, Tian Xie, Zhe Luo, Hong Zhu, Xiaoqin Zeng
- M43.00012: The analytic metric for geometric series diffraction from icosahedral quasicrystals
  Antony Bourdillon
M45. Emerging Trends in Molecular Dynamics Simulations and Machine Learning III
- M45.00004: A molecular dynamics study of water crystallization using deep neural network potentials of ab-initio quality
  Pablo Piaggi, Roberto Car
M61. Fe-Based Superconductors - Mostly FeSe & FeTe
- M61.00001: Ultrafast dynamics in single-layer FeSe/SrTiO₃, (Li_0.84Fe_0.16)OHFe_0.98Se, and Sr₃Ir₂O₇: revealing coupling between different degrees of freedom
  Jimin Zhao
- M61.00002: Frustrated spin order in FeSe
  Andreas Baum, Harrison Ruiz, Nenad Lazarević, Yao Wang, Thomas Boehm, Ramez Hosseinian Ahangharnejhad, Thomas Wolf, Brian Moritz, Thomas Devereaux, Rudolf Hackl
- M61.00009: Chemical pressure effect of electron-doped FeSe films
  Naoki Shikama, Yuki Sakishita, Fuyuki Nabeshima, Atsutaka Maeda
M70. Physics Outreach, Education and Society
- M70.00001: Design and implementation of professional development workshops that support women in STEM in Tanzania
  Jill Wenderott, Joyce Elisadiki

Session P

P22. Inference, Information, and Learning in Biophysics: I
- P22.00004: Different noise assumptions yield qualitatively different landscapes and transition paths in gene regulation models
  John Vastola, William Holmes
P39. First-Principles Modeling of Excited-State Phenomena in Materials VIII: TDDFT and Nonadiabatic Dynamics
- P39.00007: Quantitative electronic stopping power from localized basis set
  Ivan Maliyov, Xixi Qi, Jean-Paul Crocombette, Fabien Bruneval
P41. Spins in Non-magnetic Semiconductors
- P41.00006: Origin of Rashba-Dresselhaus effect in a Pb-free ferroelectric nitride perovskite.
  Subhadeep Bandyopadhyay, Indra Dasgupta
- P41.00008: Dephasing in quasi-1D wires: Non-Markovian noise and correlations due to itinerant spin interactions
  Matthew Foster, Seth Davis
- P41.00011: Response of Bloch Electrons to Electric Fields
  William Kerr
P43. Computational design and discovery of novel materials II
- P43.00008: A mesoscale lattice model and atomistic simulations of controlled drug release
  Kulveer Singh, Ratna Sandeep Katiyar, Soumitra Satapathi, Prateek Jha
P44. Electrons, Phonons, Electron Phonon Scattering, and Phononics III
- P44.00004: Phonon-mediated Optical and Electronic Transport Properties of BAs
  Kyle Bushick, Kelsey Mengle, Sieun Chae, Zihao Deng, Emmanouil Kioupakis
- P44.00013: Phonon RIXS calculations using Green's function Momentum Average technique
  Krzysztof Bieniasz, Mona Berciu, Steven Johnston
P45. Emerging Trends in Molecular Dynamics Simulations and Machine Learning IV
- P45.00009: Active learning of fast Bayesian force fields with mapped gaussian processes - application to stability of stanene
  Yu Xie, Jonathan Vandermause, Lixin Sun, Andrea Cepellotti, Boris Kozinsky
- P45.00012: A Self-consistent Artificial Neural Network Inter-atomic Potential for Li/C Systems
  Yusuf Shaidu, Ruggero Lot, Franco Pellegrini, Emine Kucukbenli, Stefano de Gironcoli
P46. Unconventional Order and Phase Behaviors in Complex Oxides
- P46.00003: Low Temperature Specific Heat of Doped SrTiO₃: Doping Dependence of the Effective Mass and Kadowaki-Woods Scaling Violation
  Eric McCalla, Maria Navarro Gastiasoro, Guy Cassuto, Rafael Fernandes, Chris Leighton
- P46.00004: Influence of structural distortions on the magnetic order of rare-earth titanates
  Ana Najev, Damjan Pelc, Sajna Hameed, Joseph Joe, Martin Greven, Miroslav Pozek
P64. Carriers in Ferroelectrics and Multiferroic Quantum Criticality
- P64.00001: Origin of Metal–Insulator Transition in n-doped ABO₃Perovskite Metals
  Guoxiang Hu, Chandler Bennett, Qiyang Lu, Olle Heinonen, Paul Kent, Ho Nyung Lee, Jaron Krogel, Panchapakesan Ganesh
- P64.00009: Uniqueness of the Polarization in Crystals and Nanostructures
  Shoham Sen, Yang Wang, Pradeep Sharma, Kaushik Dayal

Session R

R22. Inference, Information, and Learning in Biophysics: II
- R22.00004: Can model reduction replace expert intuition for modeling complex biological systems?
  Cody Petrie, Dane Bjork, Mark Transtrum
- R22.00007: Searching for the Relevant Properties of Binary Datasets: Is your Model Truly Pairwise?
  Clelia De Mulatier, Paolo Mazza, Matteo Marsili
R39. Machine Learning for Quantum Matter III
- R39.00010: Deep Learning-Enhanced Variational Monte Carlo Method for Quantum Many-Body Physics
  Li Yang, Zhaoqi Leng, Li Li, Ankit Patel, Wenjun Hu, Han Pu
R40. Precision many-body physics VI: Novel methods and algorithms
- R40.00003: Differentiable Programming Tensor Networks
  Hai-Jun Liao, Jin-Guo Liu, Lei Wang, Tao Xiang
- R40.00009: A time and momentum resolved tunneling spectroscopy approach to non-equilibrium phenomena in correlated systems
  Krissia Zawadzki, Adrian Feiguin
R43. Computational Design and Discovery of Novel Materials III
- R43.00001: Creating Novel Magnetic Compounds with Complementary Experimental and Computational Methods
  Balamurugan Balasubramanian, David Sellmyer
- R43.00004: Machine-learning Assisted Prediction of Magnetic Double Perovskites
  Tanusri Saha-Dasgupta, Anita Halder, Aishwaryo Ghosh
- R43.00005: First-principles design of solid-state hydrogen electrolytes
  Andrew Rowberg
- R43.00009: Influence of cation site disorder in ZnGeN₂ on electronic properties
  Jacob Cordell, Jie Pan, Celeste Melamed, Garritt Tucker, Adele Tamboli, Stephan Lany
R45. Computational Methods for Statistical Mechanics: Advances and Applications I
- R45.00004: A Combinatorial Perspective on Ising Model Hysteresis
  Yuling Guan, Ang Li, Stephan Haas, Satish Thittamaranahalli, Sven Koenig
- R45.00008: Equilibrium density calculation of generalized Muttalib-Borodin ensembles.
  Swapnil Yadav, Kazi Alam, Khandker Muttalib, Dong Wang
R57. 2D Semiconductors: Structure, Growth, and Electronic Properties
- R57.00008: Structural and optical properties of bulk and monolayer GeSe : A Quantum Monte Carlo Study
  Hyeondeok Shin, Jaron Krogel, Paul Kent, Anouar Benali, Olle Heinonen
R64. Chiral and Polar Structures in Thin Film Oxides
- R64.00010: Coherent Acoustic Phonons and Ultrafast Carrier Dynamics in BaTiO3-BiFeO3Films and Nanorods
  Rathsara Herath Mudiyanselage, Brenden Magill, Giti Khodaparast, Christopher Stanton, Jade Holleman, Stephen McGill, Min-Gyu Kang, Han-Byul Kang, Shashank Priya

Session S

S36. Ultrafast Dynamics of Coupled Electrons and Atomic Motions: Experiments and Precise Simulations
- S36.00003: Toward Precise Ab Initio Simulations of the Ultrafast Dynamics of Electrons and Phonons
  Marco Bernardi
S40. Physics and Effects on Transport of Ion-Ion Correlation in Electrolyte Materials I
- S40.00001: Direct measurement of ion mobility by electrophoretic NMR and implications for correlated migration in liquid electrolytes
  Monika Schönhoff, Florian Schmidt, Marc Brinkkötter, Mark Rosenwinkel, Pinchas Nürnberg
- S40.00010: Transport anomalies in electrolytes emerging from strong ionic correlation
  Nicola Molinari, Jonathan Mailoa, Boris Kozinsky
S41. Emergent magnetism in correlated electron systems II
- S41.00010: Ferrimagnetism in High Entropy Transition Metal Spinel Oxides
  Graham Johnstone, Alannah Hallas
S43. Computational Design and Discovery of Novel Materials IV: 2D and Layered Materials
- S43.00003: Giant polarization charge density at ScN/GaN interfaces
  Nicholas Adamski, Cyrus Dreyer, Chris Van de Walle
- S43.00004: Quasi-Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis and Application
  Zahra Hemmat, John Cavin, Alireza Ahmadiparidari, Alexander Ruckel, Sung Cho, Robert Klie, Rohan Mishra, Amin Salehi-Khojin
- S43.00007: Hybrid assemblies of two-dimensional octagonal monolayers of C and BN
  Prashant Gaikwad, Anjali Kshirsagar
- S43.00010: A first principle study on the role of Li intercalation in the structural transition from a few-layer black to blue phosphorene
  Md Rajib khan Musa, Ming Yu
- S43.00011: The role of Configurational entropy in real time mass sensing.
  Sudeep Adhikari, Kevin Beach
S44. Electrons, Phonons, Electron Phonon Scattering, and Phononics V
- S44.00003: Calculation of mode Gruneisen parameters made simple
  Angelo Bongiorno
- S44.00004: Density functional perturbation theory for lattice dynamics with fully relativistic ultrasoft pseudopotentials: the magnetic case
  Andrea Urru, Andrea Dal Corso
- S44.00005: Photothermal imaging as a new tool for the investigation of the temperature-dependent properties of the medium in nanoscale
  Maryam Zahedian, Bogdan Dragnea
- S44.00010: Simulations of thermoelectric coefficients using DFT bandstructures and energy dependent scattering rates
  Patrizio Graziosi, Chathurangi Kumarasinghe, Neophytos Neophytou
- S44.00012: Phonon-Phonon Quantum Coherent Coupling in GaAs/AlAs Superlattice
  Feng He, Nathanial Sheehan, Xianghai Meng, Seth Bank, Raymond Orbach, Yaguo Wang
S45. Computational Methods for Statistical Mechanics: Advances and Applications II
- S45.00001: Progress in stochastic coupled Molecular Dynamics and Spin Dynamics
  Pascal Thibaudeau
- S45.00005: Investigation of Fe by means of atomistic spin dynamics coupled with ab initio molecular dynamics simulations
  Davide Gambino, Bjorn Alling
- S45.00011: Exploring the Potential of Parallel-Biasing in Flat Histogram Methods
  Shanghui Huang, Jonathan Whitmer
S64. Controlling Dielectrics and Ferroics for Devices
- S64.00006: Negative capacitance in the hexagonal-YbFeO₃ epitaxial thin films
  Yu Yun, Xiaoshan Xu

Session U

U39. Machine learning for quantum matter V
- U39.00003: Real time evolution with neural network quantum states
  Irene Lopez Gutierrez, Christian Mendl
- U39.00011: Unsupervised machine learning for accelerating discoveries from temperature dependent X-ray data
  Jordan Venderley, Michael Matty, Varsha Kishore, Geoff Pleiss, Kilian Weinberger, Eun-Ah Kim
- U39.00012: Machine learning effective models for quantum systems
  Andrew Mitchell, Jonas Rigo
U40. Physics and effects on transport of ion-ion correlation in electrolyte materials II
- U40.00001: Ion-ion correlations across and between micropores in carbon electrodes
  Trinidad Méndez-Morales, Mathieu Salanne
- U40.00005: Ionic liquid dynamics measured with implanted-ion β-NMR
  Derek Fujimoto, Ryan McFadden, Martin Dehn, Yael Petel, Aris Chatzichristos, Lars Hemmingsen, Victoria Karner, Robert Kiefl, Philip Levy, Iain McKenzie, Carl Michal, Gerald Morris, Matt Pearson, Daniel Szunyogh, John Ticknor, Monika Stachura, W MacFarlane
- U40.00006: Fundamental Studies of Tritium Diffusivity in Irradiation Defective LiAlO₂ and Li₂ZrO₃: A Frist Principles Density Function Theory Study
  Hari Paudel, Yuhua Duan
U41. Quantum Spins in Semiconductors
- U41.00003: Nanoscale structure of the orbital magnetic moment of a single dopant spin in a semiconductor
  Adonai Rodrigues da Cruz, Michael Flatté
- U41.00010: Dynamics of Spin Waves in 1D and 2D Magnonic Crystals of V[TCNE]_x~2 with YIG or Cobalt
  Kwangyul Hu, Michael Flatté
- U41.00011: Impact of hidden structural order on low temperature magnetic resonance in V[TCNE]x
  Huma Yusuf, Andrew Franson, Seth Kurfman, Ezekiel Johnston-Halperin
U43. Computational design and discovery of novel materials V: Electronic structure
- U43.00001: Towards ideal topological materials: Comprehensive database searches using symmetry indicators
  Feng Tang, Hoi Chun Po, Ashvin Vishwanath, Xiangang Wan
- U43.00013: Unraveling the thermodynamic stability, catalytic activity and electronic structure of bimetallic clusters at realistic conditions
  Shikha Saini, Saswata Bhattacharya
U44. Electrons, Phonons, Electron Phonon Scattering, and Phononics VI
- U44.00003: Capturing non-perturbative electron-phonon effects in real materials using DMFT
  Adam Denchfield, Hyowon Park, Peter Littlewood
- U44.00007: Phonon-limited carrier mobility in semiconductors: importance of the dynamical quadrupoles
  Guillaume Brunin, Henrique Miranda, Matteo Giantomassi, Miquel Royo, Massimiliano Stengel, Xavier Gonze, Gian-Marco Rignanese, Geoffroy Hautier
U45. Computational Methods for Statistical Mechanics: Advances and Applications III
- U45.00004: Ground State Properties of the Diluted Sherrington-Kirkpatrick Spin Glass
  Stefan Boettcher
- U45.00008: A Parameter Free Genetic Algorithm for Estimating the Dynamic Structure Factor at Zero and Finite Temperature
  Nathan Nichols, Adrian Del Maestro, Timothy Prisk, Garfield Warren, Paul Sokol
- U45.00011: Stars & Bars: A Compact Representation for Bosonic Occupation States
  Caleb Usadi, Hatem Barghathi, Adrian Del Maestro
U47. Multipolar order and strongly spin-orbit coupled oxides
- U47.00010: Random singlet state in the spin liquid candidate Ba₅CuIr₃O₁₂
  Denis Gorbunov, Pavel Volkov, Choong-Jae Won, Jaewook Kim, Mai Ye, Heung-Sik Kim, Jed Pixley, Sang-Wook Cheong, Girsh Blumberg
U70. Frontiers in Interdisciplinary Theory and Phenomena

Session W

W36. Twenty years of the Quantum Cluster Theory: recent progress
- W36.00002: Quantum Cluster Theory of Unconventional Superconductivity
  Thomas Maier
W39. Machine Learning for Quantum Matter VI
- W39.00002: Machine learning effective models from a Boltzmann perspective
  Jonas Rigo, Andrew Mitchell
- W39.00008: Transferable and interpretable machine learning model for four-dimensional scanning transmission electron microscopy data
  Michael Matty, Michael Cao, Zhen Chen, Li Li, David Muller
- W39.00009: Tight-binding deep learning approach to band structures calculations
  Florian Sapper, Vittorio Peano, Florian Marquardt
W44. Electrons, Phonons, Electron Phonon Scattering, and Phononics VII
- W44.00002: Driven Imposters: Controlling Expectations in Solid State Systems
  Gerard McCaul, Christopher Orthodoxou, Kurt Jacobs, George Booth, Denys Bondar
W45. Quantum Manybody Systems and Computational Physics
- W45.00004: Dynamical properties of correlated many-body systems from Quantum Monte Carlo simulations
  Ettore Vitali, Patrick Kelly, Annette Lopez, Kaelyn Dauer
- W45.00011: Normalizing Cluster Wavefunctions in the Interstitial Region Within the Muffin-tin Approximation
  Daniel Gebremedhin, Charles Weatherford, Brian Wilson
- W45.00014: Topologically induced pre-scrambling and dynamical detection of topological phase transitions at infinite temperature
  Ceren Dag, Luming Duan, Kai Sun

Session X

X43. Computational design and discovery of novel materials VII: Machine learning and high throughput computing
- X43.00001: Density Functional Theory Calculations on Surface Oxygen Vacancy Formation in Metal Oxides
  Yoyo Hinuma, Takashi Toyao, Takashi Kamachi, Zen Maeno, Satoru Takakusagi, Shinya Furukawa, Ichigaku Takigawa, Ken-ichi Shimizu
- X43.00007: Accelerated enumeration of derivative structures using zero-suppressed binary decision diagram
  Kohei Shinohara, Atsuto Seko, Takashi Horiyama, Masakazu Ishihata, Junya Honda, Isao Tanaka
- X43.00009: Symbolic Regression in Materials Science
  Yiqun Wang, James Rondinelli
- X43.00011: Bayesian Machine Learning in Metamaterial Design: Fragile Becomes Supercompressible
  Miguel Bessa, Piotr Glowacki, Michael Houlder
X57. 2D Semiconductors: Defects, Twists, and Optical Properties
- X57.00004: Crucial Role of many-body van der Waals interaction in understanding the stability of point defects in MoS₂ monolayer
  Arunima Singh, Saswata Bhattacharya

APS April Meeting 2019

Session H

H05. Building the Bridge to Exascale Computing: Applications and Opportunities for Nuclear Physics
- H05.00001: Nuclear Astrophysics approaching the Exascale: Multi-physics simulations of stellar explosions and their nucleosynthesis
  Bronson Messer
- H05.00003: Lattice QCD for nuclear physics at the Exascale
  André Walker-Loud

Session J

J02. Edward Bouchet Award Talk and Progress in Numerical Simulations of Compact Binaries
- J02.00001: From simulations of binary black holes to insights into astrophysics and gravitational waves
  Carlos Lousto
- J02.00002: Numerical relativity simulations of neutron star mergers
  David Radice
- J02.00003: Lessons and future prospects from the interplay of multimessenger astronomy and computational gravity
  Vasileios Paschalidis

Session L

L06. Calling all physics teachers: It is time to integrate computation into your courses!
- L06.00002: The PICUP Collection: A Unique Repository for Supporting the Integration of Computation into the Undergraduate Physics Curriculum
  Kelly Roos
- L06.00003: Integrating Computation into Core Physics courses: A perspective from a research-intensive university
  Marcos Caballero

Session Q

Q06. New Developments in Computing Hadron Structure
- Q06.00001: Parton distribution inside the pion from lattice QCD
  Nikhil Karthik, Taku Izubuchi, Luchang Jin, Christos Kallidonis, Swagato Mukherjee, Peter Petreczky, Charles Shugert, Sergey Syritsyn
- Q06.00002: Non-perturbative studies of Parton Distribution Functions
  Kostas Orginos
- Q06.00003: Hadron structure from current-current correlation functions in Lattice QCD
  Raza Sufian, Jian-Wei Qiu, David Richards, Colin Egerer, Joseph Karpie, Kostas Orginos, Jian Liang, Keh-Fei Liu

Session Y

Y08. Computational Physics
- Y08.00001: Towards Robust Methods for Relativistic Neutrino Transport
  Eirik Endeve
- Y08.00002: Using Machine Learning Tools to Enhance Background Subtraction at E906/SeaQuest
  Marshall Scott
- Y08.00003: Accelerating NOvA's Feldman Cousins procedure with high performance computing platforms
  Derek Doyle
- Y08.00004: Benefits of the Sirepo cloud computing framework for graduate level physics education
  David Bruhwiler, Robert Nagler, Paul Moeller, Christopher Hall, Nathan Cook, Dan Abell, Boaz Nash, Michael Keilman

Session Z

Z11. Energy/Computational Physics
- Z11.00001: Nuclear Fission as a Truly Safe, Renewable and Sustainable Energy Source
  Robert Hayes
- Z11.00004: A Discontinuous Galerkin Method for General Relativistic Hydrodynamics in thornado
  Samuel Dunham, Eirik Endeve, Anthony Mezzacappa, Jesse Buffaloe
- Z11.00005: Path integrals for awkward actions
  David Amdahl, Kevin Cahill
- Z11.00008: GGA+U and hybrid functional calculations of intrinsic defects and transition metal doping in NiO
  Samuel Cantrell, Luisa Scolfaro, Pablo Borges, Wilhelmus Geerts

APS March Meeting 2019

Session A

A21. Big Data in Physics
- A21.00003: Insights into the world connectivity from aviation and tourism data
  Nuno Araujo
Session B
B02. Dielectric & Ferroic Oxides -- Flexoelectric, Photovoltaic, and Piezoelectric properties
- B02.00005: Bulk- and Flexo-Photovoltaic effects
  Marin Alexe, Ming-Min Yang, Dong-Jik Kim, Zhengdong Luo
B14. 2D Materials (Metals, Superconductors, and Correlated Materials) -- Magnetism
- B14.00007: Probing magnetism in atomically thin van der Waals insulators using electron tunneling
  David MacNeill

Session C

C18. Machine Learning Quantum Many-body Models
- C18.00001: Quantum Loop Topography for Machine Learning Transport
  Yi Zhang, Carsten Bauer, Peter Broecker, Paul Ginsparg, Simon Trebst, Eun-Ah Kim
C62. Machine Learning Applications in Experimental Quantum Materials Research
- C62.00001: Learning Quantum Emergence with AI.
  Eun-Ah Kim

Session E

E11. Defects in Semiconductors -- Oxides
- E11.00001: Electronic states in electron-doped rare-earth nickelates from first principles
  Michele Kotiuga
E62. Dealing With Spin-Orbit Coupling
- E62.00003: Carrier recombination in materials with strong spin-orbit coupling
  Xie Zhang
- E62.00005: Impact of spin-orbit coupling on the magnetic phase diagram of the iron pnictides
  Morten Holm Christensen

Session F

F17. Matter in Extreme Environments: Novel Materials
- F17.00001: Hydrocarbons under pressure: phase diagrams and surprising new compounds in the C-H system
  Anastasia Naumova, Sergey Lepeshkin, Artem Oganov
F22. Education and Modern Computation
- F22.00002: Computational Problems for Physics Courses Throughout the Curriculum
  Rubin Landau
- F22.00003: Hitting the ground running: Computational physics education that prepares students for research
  Amy Graves, Adam Light
- F22.00005: Developing the educational value of visualizations in physics
  Joan Adler

Session H

H10. Fe-based Superconductors IV
- H10.00001: Pairing mechanisms in iron-based superconductors: variations on the s+/- theme
  Peter Hirschfeld
H36. Real-Space Methods for Large Scale Electronic Structure Problems
- H36.00001: Real-space numerical grid methods: The next generation of electronic structure codes
  James Chelikowsky
- H36.00002: Large-scale density-functional calculations in real space and its application to bilayer graphene and semiconductor epitaxial growth
  Atsushi Oshiyama

Session K

K10. Fe-based Superconductors -- FeSe Intercalates and Interfaces
- K10.00002: Collective excitations and the superconductivity enhancement of FeSe/SrTiO₃
  Xuetao Zhu
K17. Matter in Extreme Environments: Quantum Materials
- K17.00001: Physics of Ultra-light Materials Under Pressure: Quantum and isotope effects in lithium metal
  Shanti Deemyad
K20. First-principles Modeling of Excited-state Phenomena in Materials VII: 2D Materials and Surfaces
- K20.00001: Ab initio time-dependent optical spectroscopy applied to spin and valley dynamics in monolayer transition metal dichalcogenides
  Alejandro Molina-Sanchez
K62. Materials at TPa: a New Frontier of Materials Physics
- K62.00003: Mass-dependent Dynamics of Terrestrial Exoplanets Using ab initio Mineral Properties
  Arie Van den Berg, David Yuen, Koichiro Umemoto, Michael Jacobs, Renata Wentzcovitch

Session L

L12. 2D Materials (Metals, Superconductors, and Correlated Materials) -- TMDC Theory
- L12.00001: Transport, Interactions, and Flavortronics in 2D Transition Metal Dichalcogenides
  Fan Zhang
L21. Emerging Trends in Molecular Dynamics Simulations and Data Analytics II
- L21.00001: Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach
  Yang Sun, Feng Zhang, Huajing Song, Mikhail Mendelev, Alex Travesset, Cai-Zhuang Wang, Kai-Ming Ho

Session P

P21. Emerging Trends in Molecular Dynamics Simulations and Data Analytics III
- P21.00001: Deep Learning for Multi-Scale Molecular Modelling
  Weinan E
P40. Emergent Magnetism in Oxide Films and Heterostructures
- P40.00006: Emergent Spin State Ordering Driven Ferromagnetism in Strained LaCoO₃
  George Sterbinsky
P62. Physics of Planetary Interiors: Modeling Planets From Atomic to Global Scale
- P62.00001: What Juno and Cassini have told us about Giant Planet interiors
  David Stevenson

Session R

R17. Matter in Extreme Environments: Theoretical Methods and Applications II
- R17.00009: Thermodynamics and Thermal Conduction at Extreme Conditions Based on Phonon Quasiparticles
  Dong-Bo Zhang

Session X

X22. Electrons, Phonons, Electron-Phonon Scattering and Phononics VIII
- X22.00001: Computational quest for high-mobility 2D materials
  Thibault Sohier, Davide Campi, Nicola Marzari, Marco Gibertini

APS April Meeting 2018

Session B

B14. Computational Physics
- B14.00001: Distributed Memory Techniques for Classical Simulation of Quantum Circuits
  Ryan LaRose
- B14.00002: Spectral Methods in the Presence of Discontinuities
  Jonah Miller, Piotrowska Joanna, Erik Schnetter
- B14.00003: Relaxation in the beta-FPUT chain for small N
  Tyler Barrett, Surajit Sen
- B14.00004: Studying chaotic pendulum using a microcontroller
  Cahit Erkal
- B14.00006: Potts Model with Different Spin States, Simulated on a Structural Connectome to Model the Structure- Function Relationship of the Human Brain
  Pubuditha Abeyasinghe, Francisco de Sousa Lima, Marco Aiello, Carlo Cavaliere, Raimundo Costa, Adrian Owen, Andrea Soddu
- B14.00007: Quantum machine learning for universal quantum computation
  Elizabeth Behrman
- B14.00008: Method of and System for Determining a Highly Accurate and Objective Maximum Medical Improvement Status and Dating Assignment
  Jerry Artz, Daniel Penn, John Alchemy
- B14.00009: Spectral Clustering using Expert Knowledge
  C. Tyler Diggans

Session H

H06. Many Body Quantum Computations in Nuclear Physics
- H06.00003: Nuclear structure and quantum phase transitions with lattice effective field theory
  Dean Lee

Session J

J03. History of Numerical Relativity
- J03.00001: The Pre-History of the Two Black Hole Collision Problem
  Larry Smarr
- J03.00002: Numerical Relativity 1980-2000s: The era of sharpening our tools and exploring Einstein's physics
  Ed Seidel
- J13. Numerical Relativity: Neutron Stars and Other Sources with Matter
- J13.00002: Effects of a new Equation of State on Binary Neutron Star Mergers
  Andrea Endrizzi, Domenico Logoteta, Bruno Giacomazzo, Ignazio Bombaci, Riccardo Ciolfi, Wolfgang Kastaun
- J13.00003: GW170817, General Relativistic Magnetohydrodynamic Simulations, and the Neutron Star Maximum Mass
  Milton Ruiz, Stuart Shapiro, Antonios Tsokaros
- J13.00004: Spin in binary neutron star initial data
  Antonios Tsokaros, Koji Uryu, Milton Ruiz, Stuart Shapiro
- J13.00005: Quasi-radial instability of differentially rotating relativistic stars
  Gabriele Bozzola, Nikolaos Stergioulas, Roberto De Pietri
- J13.00006: Study of f-mode Oscillations in Numerical Relativity Simulations of Perturbed Neutron Stars and Highly Eccentric Binary Neutron Star Mergers
  Shawn Rosofsky, Roman Gold, Cecilia Chirenti, Cole Miller
- J13.00007: Black hole-neutron star post-merger evolution using viscous relativistic hydrodynamics
  Milad Haddadi

Session K

K04. Binary Merger Simulations
- K04.00002: New vistas in binary black holes
  Luis Lehner

Session R

R05. The Bold New Era of Big Data & Machine Learning
- R05.00001: Exploring the universe with artificial intelligence
  Kevin Schawinski
- R05.00002: Machine Learning in the LIGO-Virgo Era
  Kai Staats

Session X

X11. Computational Methods for Particle and Nuclear Physics
- X11.00001: Challenges and Opportunities in HEP Software and Computing
  Mark Neubauer, Peter Elmer, Michael Sokoloff
- X11.00003: Simulation and Design of the next phase of Project 8, a Direct Neutrino Mass Measurement Experiment
  Tim Wendler
- X11.00004: Computational Developments for Coupled Cluster Theory With Triples and Three-Body Forces
  Justin Lietz, Morten Hjorth-Jensen, Gustav Jansen
- X11.00005: Topological charge and cooling scales in pure SU(2) lattice gauge theory
  David Clarke, Bernd Berg
- X11.00007: On the Schur complement of the nearest Kronecker product preconditioner for elliptic boundary value problems
  Pablo Brubeck

Session Y

Y11. Computational Physics and the Cosmos
- Y11.00002: A new tool to check the accuracy of Analytic Spacetimes for binary black holes
  Jam Sadiq, Yosef Zlochower, Hiroyuki Nakano
- Y11.00003: Generation of Vector Potentials for General Relativity Simulations
  Zachary Silberman, Joshua Faber, Thomas Adams, Zachariah Etienne, Ian Ruchlin
- Y11.00004: Probing The Non-Linearity in Galaxy Clusters Through The Analysis of Fractal Dimension
  Loay Khalifa

APS March Meeting 2018

Session A

A23. Bulk Manganites and Cobaltites
- A23.00001: Identification and control of domain wall order in spinel ferrimagnets
  Greg MacDougall, Adam Aczel, Lisa DeBeer-Schmitt, Alexander Thaler, Dalmau Reig-i-Plessis, Alexander Zakrzewski, Lazar Kish
- A23.00004: Mapping out the Fermi surface of CMR manganites
  John Singleton, Jamie Brambleby, Paul Goddard, Dharmalingam Prabhakaran, Anand Bhattacharya
A32. Machine Learning in Classical and Quantum Many-body Physics
- A32.00003: Machine learning and the magnetic phases of correlated fermions
  Ehsan Khatami, Kelvin Ch'ng, Nick Vasquez, Juan Carrasquilla, Roger G. Melko
- A32.00005: Self-Learning Monte Carlo Methods
  Yang Qi

Session B

B32. Computational Modeling of Electronic Materials for Energy Applications
- B32.00004: Semiconductor physics of halide perovskite solar cells
  Jarvist Frost, Aron Walsh

Session C

C02. Developments of DFT from Quantum to Statistical Mechanics (II)
- C02.00006: Liquid drops on surfaces: using density functional theory to calculate the binding potential and drop profiles and comparing with results from mesoscopic modelling
  Andrew Archer

Session E

E05. Anomalous Transverse Transport in Mn3X Non-collinear Antiferromagnets
- E05.00003: Anomalous Nernst and Righi-Leduc Effects in Mn3Sn:Berry Curvature and Entropy Flow
  Xiaokang Li
- E05.00004: Cluster multipole theory for anomalous Hall effect in antiferromagnets
  Ryotaro Arita
E34. Machine Learning in Condensed Matter Physics I
- E34.00001: From Boltzmann machines to Born machines
  Lei Wang

Session F

F34. Machine Learning in Condensed Matter Physics II
- F34.00001: Machine learning a dynamical phase diagram for many-body localization
  Eyal Bairey, Gil Refael, Evert Van Nieuwenburg

Session H

H43. Advancing Polymer Physics by Integrating Simulation and Theory II
- H43.00005: Electronically excited states in π/π stacking compounds
  Azusa Muraoka, Nao Fukabori, Tomomi Yasoshima
H58. First-Principles Modeling of Electron Transport in Materials
- H58.00001: Boltzmann Transport Theory for Thermoelectric Compounds
  David Singh
- H58.00004: Conditions for T² resistivity from electron-electron scattering
  Michael Swift

Session K

K11. Dopants and Defects in Semiconductors - Nitrides
- K11.00002: Defect Level of a C-Related Center in C-Doped GaN
  Subash Paudel, William Willoughby, Mary Zvanut, M. Bockowski, M. Iwinska, T. Sochacki
K42. Simulating Magnetization Switching Across Multiple Time and Length Scales
- K42.00003: Magnetophononics: ultrafast spin control through the lattice
  Michael Fechner
- K42.00005: Magnetization dynamics from an ab-intio perspective: from single atoms to skyrmions
  Samir Lounis

Session L

L38. Materials in Extremes: Strength and Plasticity
- L38.00007: Experimental studies of shock-induced plasticity and shock-wave structure in FCC and BCC metals
  Eugene Zaretsky

Session P

P18. Electronic Structure Methods and Quantum Many-body Systems
- P18.00003: On the question of the total energy in FLO-SIC calculations
  Kushantha Withanage, Kai Trepte, Koblar Jackson, Juan Peralta
P42. Recent Progress in Tensor Network Methods and Applications
- P42.00004: Iterative Compression-Decimation Scheme for Tensor Network Optimization
  Zhicheng Yang, Stefanos Kourtis, Claudio Chamon, Eduardo Mucciolo, Andrei Ruckenstein

Session R

R12. Computational Materials Design - Machine Learning
- R12.00004: Machine Learning and Materials Discovery
  Gus Hart
R25. Many-body Dynamics in Low-dimensional Quantum Systems
- R25.00002: Emergent eigenstate solution to quantum dynamics
  Lev Vidmar
R34. Machine Learning in Condensed Matter Physics IV
- R34.00001: Tensor Network Machine Learning Models
  Edwin Stoudenmire

Session S

S29. Electrons, Phonons, Electron Phonon Scattering and Phononics IV
- S29.00009: Polarons in CH₃NH₃.PBI₃: Formation, transport and recombination
  Jarvist Frost, Lucy Whalley, Jonathan Skelton, Pooya Azarhoosh, Scott McKechnie, Mark Schilfgaarde, Aron Walsh

Session V

V03. Challenges for excited states and dynamics II
- V03.00001: Non-adiabatic couplings in the EOM-CC framework
  Anna Krylov
V34. Precision Many Body Physics V
- V34.00001: Floquet Supersymmetry
  Thomas Iadecola, Timothy Hsieh

Session X

X32. Computational approaches for far-from-equilibrium quantum systems
- X32.00001: Numerical Linked Cluster Expansions for Quantum Quenches in the Thermodynamic Limit
  Marcos Rigol

Session Y

Y38. Materials in Extremes: Warm Dense Matter
- Y38.00001: MaRIE: Matter-Radiation Interactions in Extremes Capability and Fulfilling the Requirements of Future Multi-Scale Materials Modeling
  Cris Barnes, Curt Bronkhorst, Edward Kober, Richard Sheffield, Jack Shlachter

APS March Meeting 2017

Session A

A43. Spin Orbit Physics in Oxides I
- A43.00004: Iridates and RuCl$_3$ - from Heisenberg antiferromagnets to potential Kitaev spin-liquids
  Jeroen van den Brink

Session B

B1. Computational Discovery and Design of Novel Materials II
- B1.00001: Quantum Machine Learning
  Anatole von Lilienfeld

Session C

C7. Computational Physics at the Petascale and Beyond III
- C7.00004: Accelerating large scale Kohn-Sham density functional theory calculations with semi-local functionals and hybrid functionals
  Lin Lin
C28. Dopants and Defects in Semiconductors II: Oxides
- C28.00001: Strange conductivity of strontium titanate
  Matthew McCluskey

Session E

E1. Computational Discovery and Design of Novel Materials IV
- E1.00001: Soft Functionals for Hard Matter
  Valentino R. Cooper, Simuck F. Yuk, Jaron T. Krogel

Session F

F42. Spin Transport in Quantum Dots and Nanowires
- F42.00004: On-demand generation of entangled multiphoton states from a confined spin in a semiconductor quantum dot
  Emma Schmidgall
F43. Multiferroic Oxide Heterostructures
- F43.00001: Ferroelectric control of magnetism in oxide heterostructures
  Shuai Dong

Session H

H2. Materials in Extremes IV
- H2.00001: Laser-shocked energetic materials for laboratory-scale characterization and model validation
  Jennifer Gottfried
H19. Calculating Optical Properties from First Principles
- H19.00001: Excited States and Optical Spectra Based on GW-BSE: Dimensionality and Screening
  Steven G. Louie
- H19.00003: Many-Body Perturbation Theory for Understanding Optical Excitations in Organic Molecules and Solids
  Sahar Sharifzadeh

Session K

K7. First-Principles Modeling of Excited State Phenomena IV: Molecular Systems and Singlet Fission
- K7.00004: Excited state dynamics in nanoscale materials: time-domain ab initio studies
  Oleg Prezhdo

Session L

L8. Electrons, Phonons, and Electron Phonon Scattering IV
- L8.00001: Anomalous phonon/heat transport in low dimensional micro/nano materials
  Baowen Li
L24. Frontiers in Theory: Joint DCMP/DCOMP/GSNP Prize Session
- L24.00003: Hydrodynamics of Onsager’s vortex flow and fractional quantum Hall effect
  Paul Wiegmann
- L24.00005: Oliver E. Buckley Condensed Matter Prize: Emergent gravity from interacting Majorana modes
  Alexei Kitaev
L34. Thermal Transport Modeling - Novel Approaches
- L34.00008: Emergent phenomena in phonon thermal transport
  Andrea Cepellotti

Session P

P1. Van der Waals Bonding in Advanced Materials III
- P1.00001: Long-Range van der Waals Correction to a Semilocal Density Functional: The Tail Need Not Wag the Dog
  John P. Perdew

Session R

R7. First-Principles Modeling of Excited State Phenomena VII: Phonons and Electron Dynamics
- R7.00007: Electron-phonon coupling from finite displacements: including electron correlation and higher order terms
  Bartomeu Monserrat
R29. Industrial Advances in Computation
- R29.00002: High-throughput materials discovery and development: breakthroughs and challenges in the mapping of the materials genome
  Marco Buongiorno Nardelli

Session S

S24. Progress in Physics Inspired by Walter Kohn
- S24.00001: Geometric phase effects in Bloch bands
  Qian Niu

Session V

V19. Predictive Modeling of Electron-Phonon Coupling in Condensed-Matter Physics
- V19.00002: Electronic properties with and without electron-phonon coupling
  Philip Allen
- V19.00004: Dynamics of highly excited electrons photoinjected into GaAs: formation and decay of hot-electron ensembles.
  Jelena Sjakste

APS April Meeting 2017

Session C

C15. Dannie Heineman Prize and Henry Primakoff Award Session
- C15.00001: Dannie Heineman Prize for Mathematical Physics: Applying mathematical techniques to solve important problems in quantum theory
  Carl Bender
- C15.00002: Exploring the Dark Sector with the Multiwavelength Sky
  Tracy Slatyer

Session H

H7. Computational Accelerator Physics
- H7.00001: Synergia: a new platform for beam dynamics with multiple bunch interactions
  James Amundson
- H7.00003: WARP-X: a new exascale computing platform for Beam-Plasma Simulations
  Jean-Luc Vay
H10. Lattice QCD and the Physics Beyond the Standard Model
- H10.00001: Lattice QCD and physics beyond the Standar Model: an experimentalist perspective
  Marina Artuso
- H10.00002: First-principles calculation of hadronic contributions to the muon anomalous magnetic moment
  Christoph Lehner
- H10.00003: Lattice QCD calculations of weak matrix elements
  Carleton DeTar

Session M

M14. Numerical GR Simulations of Core Collapse Supernovae
- M14.00002: Core-collapse supernova simulations
  Bernhard Mueller
- M14.00003: Modeling Core Collapse Supernovae
  Anthony Mezzacappa

Session R

R2. Computational Physics
- R2.00001: DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number
  Dr. Sahadev Pradhan
- R2.00002: Exploring the Dynamics of a Quantum-Mechanical Compton Generator
  Martin Kandes, Ricardo Carretero
- R2.00004: Computational Medical Apportionment Determination for Impairment Ratings
  Jerry Artz, Marten Thompson, John Alchemy, MD, Daniel Penn, MD
- R2.00005: Simulation and Digitization of a Gas Electron Multiplier Detector Using Geant4 and an Object-Oriented Digitization Program
  Timothy McMullen, Nilanga Liyanage, Weizhi Xiong, Zhiwen Zhao
- R2.00006: Final Results from A Pilot Project to Investigate Wake Vortex Patterns and Weather Patterns at the Atlantic City Airport by the Richard Stockton College of NJ and the FAA
  Joseph Trout, J. Russell Manson, David King, Nicolas DeCicco, Alyssa Prince, Alexis Di Mercurio, Manual Rios
- R2.00007: Computing Critical Properties with Yang-Yang Anomalies
  Gerassimos Orkoulas, Claudio Cerdeirina, Michael Fisher
- R2.00008: The generalized Onsager model and DSMC simulations of high-speed rotating flows with product and waste baffles
  Dr. Sahadev Pradhan
- R2.00009: DSMC Simulation of High Mach Number Taylor-Couette Flow
  Dr. Sahadev Pradhan
- R2.00010: High Precision Calculations of the Lennard-Jones Lattice Constants for Five Lattices
  Matthew Stein

Session S

S8. Pushing the Boundaries of Lattice QCD
- S8.00001: Advances in hadronic structure from Lattice QCD
  Martha Constantinou
- S8.00003: Lattice QCD at finite temperature and density from Taylor expansion
  Patrick Steinbrecher

Session U

U14. Numerical Relativity Simulations of Compact Binary Mergers
- U14.00001: Simulations of binary black hole mergers
  Geoffrey Lovelace
- U14.00002: The exotic remnants of compact object binary mergers
  Matthew Duez
- U14.00003: Simulations of binary neutron star mergers
  Kenta Kiuchi

APS April Meeting 2016

Session C

C11. Computational Physics
- C11.00001: Analysis of High-Speed Rotating Flow in 2D Polar \textbf{\textit{(r - }}$\theta $\textbf{\textit{) }}\textbf{ Coordinate}
  S. Pradhan
- C11.00002: High-order wavelet reconstruction/differentiation filters and Gibbs phenomena
  Richard Lombardini, Ramiro Acevedo, Alexander Kuczala, Kerry Keys, Carl Goodrich, Bruce Johnson
- C11.00003: Space-Pseudo-Time Method: Application to the One-Dimensional Coulomb Potential and Density Funtional Theory
  Charles Weatherford, Daniel Gebremedhin
- C11.00004: Clustered Numerical Data Analysis Using Markov Lie Monoid Based Networks
  Joseph Johnson
- C11.00005: A wavelet approach to binary blackholes with asynchronous multitasking
  Hyun Lim, Eric Hirschmann, David Neilsen, Matthew Anderson, Jackson DeBuhr, Bo Zhang
- C11.00006: Adaptive wavelets and relativistic magnetohydrodynamics
  Eric Hirschmann, David Neilsen, Matthe Anderson, Jackson DeBuhr, Bo Zhang
- C11.00007: Simulation of Twisted Electron Mott Scattering
  John Madsen
- C11.00008: Simulating an Exploding Fission-Bomb Core
  Cameron Reed
- C11.00009: A new method for solving non-perturbative QFTs on the lattice
  Hadi Papei, Vitaly Vanchurin, Yi-Zen Chu

Session H

H7. Porting Particle Accelerator Codes on Emerging Computer Architectures
- H7.00002: A portable approach for PIC on emerging architectures.
  Viktor Decyk
- H7.00003: Astrophysics PIC codes on manycore systems
  Salman Habib

Session K

K6. Lattice Field and the Quest for Beyond the Standard Model Physics
- K6.00002: Supersymmetry on the Lattice
  David Schaich
- K6.00003: Beyond the Standard Model Physics with Lattice Simulations
  Enrico Rinaldi

Session U

U5. Computing Meets Experiment in Gravity
- U5.00001: Computing in large scale experiments
  Ian Harry
- U5.00003: High performance computing in astroparticle physics: very-high-energy gamma-ray observations with imaging atmospheric Cherenkov telescopes
  Adam Otte

Session X

X3. To the Heart of the Matter
- X3.00001: Direct measurements of astrophysically important $\alpha$-induced reactions
  Melina Avila
- X3.00002: Precise test of the unitarity of the CKM matrix via superallowed nuclear beta decay
  Hyo-In Park
- X3.00003: Experimental results on jet quenching
  Doga Gulhan
- X3.00004: From C to Parton Sea: How Supercomputing Reveals Nucleon Structure
  Huey-Wen Lin

APS March Meeting 2016

Session C

C4. Bridging Time and Length Scales: From Nano Assemblies to Bio-Polymers
- C4.00001: Going up in time and length scales in modeling polymers
  Gary S. Grest

Session F

F13. New Developments in the Study of Inhomogeneous Strongly Correlated Quantum Systems
- F13.00001: New theoretical tools for quantum glasses, with and without quenched disorder
  Louk Rademaker
- F13.00003: The role of weak interactions on the mobility-edge of strongly disordered electron systems
  Chinedu Ekuma

Session H

H13. Rahman Prize Lecture and Computational Design of New Topological Materials
- H13.00005: Rahman Prize Talk: Pushing the frontier in the simulation of correlated quantum many body systems
  Matthias Troyer

Session K

K13. Application of Monte Carlo Techniques to Cold Atom Systems
- K13.00003: Universal scaling of density and momentum distributions in Lieb-Liniger gases
  Marcos Rigol
- K13.00004: Cooling Atomic Gases With Disorder
  Richard Scalettar
K23. Focus Topic: Computational Materials Discovery and Design - Structure Prediction and Phase Diagrams
- K23.00005: Taking Materials Design Into The Space Of Polymorphs: Structure Predictions And Realizability
  Vladan Stevanovic
K41. Physics of Proteins: Protein-Protein Interactions
- K41.00001: Random close packing in protein cores
  Corey OHern

Session L

L22. Theory and Simulations of Strongly Correlated Systems with Disorder
- L22.00001: Magnetic moments and non-Fermi-liquid behavior in quasicrystals
  Eric Andrade

Session P

P12. Bridging Time and Length Scales in Polymers and Soft Materials: Computational Pathways to Accelerate the Lab to Fab Transition - Industry Day
P14. International Cooperative Efforts for Electronic Structure Methods
- P14.00004: The CECAM Electronic Structure Library: community-driven development of software libraries for electronic structure simulations
  Micael Oliveira
- P14.00005: The Yambo code: a comprehensive tool to perform ab-initio simulations of equilibrium and out-of-equilibrium properties
  Andrea Marini

Session R

R12. Recent Computational Advances in the Understanding of Complex Oxides
- R12.00004: Electron-electron interactions and lattice distortions in the perovskite titanates
  Lars Bjaalie

Session Y

Y14. Progress Towards a Solution of the Hubbard Model
- Y14.00002: Solutions of the Two Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms
  James LeBlanc
- Y14.00005: Density matrix embedding theory studies of the two-dimensional Hubbard model
  Bo-Xiao Zheng
Y55. Physics of Proteins: Pushing the Envelope on Understanding and Designing Function
- Y55.00003: Response of proteins to mechanical force
  Dave Thirumalai

APS April Meeting 2015

Session B

B11. Invited Session: Innovative Computing in Relativity
- B11.00001: Novel Numerical Approaches to Loop Quantum Cosmology
  Peter Diener
- B11.00002: Numerical Relativity's Contributions to Theoretical Astrophysics, and Its Path Forward
  Zachariah Etienne
- B11.00003: Computational approaches in gravitational wave data analysis
  Tyson Littenberg

Session C

C11. Invited Session: Frontiers of Computational Cosmology

Session H

H12. Invited Session: How Advanced Computational Resources Enhance Our Understanding of Physics

APS March Meeting 2015

Session B

B16. Focus Session: Materials Discovery with High-throughput Computation
- B16.00004: Novel tools for accelerated materials discovery in the AFLOWLIB.ORG repository: breakthroughs and challenges in the mapping of the materials genome
  Marco Buongiorno Nardelli

Session J

J18. Invited Session: Phonons and Electron-Phonon Interactions beyond LDA/GGA
- J18.00002: Radiative and nonradiative recombination at defects in semiconductors
  Audrius Alkauskas

Session L

L5. Focus Session: Orbital Fluctuations and Nematicity in FeSC
- L5.00001: Experimental Signatures of Orbital Fluctuations in Iron Based Superconductors
  Wei-Cheng Lee

Session M

M3. Invited Session: Artificial Intelligence: Existential Risk or Boon to Humanity
- M3.00001: The Future of (Artificial) Intelligence
  Stuart Russell
- M3.00004: Beneficial Smarter-than-human Intelligence: the Challenges and the Path Forward
  Benja Fallenstein
M18. Invited Session: Intersections of Density Functional Theory and Quantum Information
- M18.00004: What Density Functional Theory could do for Quantum Information
  Ann Mattsson
M47. Invited Session: Insights into Ferroelectric and Multiferroic Matrials from Computational Methods
- M47.00001: Computing the properties of ferroelectrics and magnetoelectrics in applied electric fields
  David Vanderbilt
- M47.00003: Electric polarization of Sr$_{0.5}$Ba$_{0.5}$MnO$_{3}$: a multiferroic Mott insulator
  Reza Nourafkan

Session W

W19. Invited Session: Frontiers of Electronic Structure Theory for Materials
- W19.00002: Towards a unified description of ground and excited state properties: \textit{GW} vs RPA and beyond
  Patrick Rinke
W23. Focus Session: Anderson Localization
- W23.00001: Anderson localization for chemically realistic systems
  Hanna Terletska

Session Y

Y18. Invited Session: New Approaches to the Non-Equilibrium Quantum Many-Body Problem
- Y18.00003: Thermalization and long-time behavior of nonequilibrium correlated quantum systems
  Herbert F. Fotso

Session Z

Z53. Invited Session: Thermal Transport: Modelling and Ab Initio Calculations

APS April Meeting 2014

Session H

H17. Invited Session: The Impact of Advanced Digital Resources on Research in Physics
- H17.00001: Unearthing the excited hadron resonances in lattice QCD using NSF XSEDE resources
  Colin Morningstar
- H17.00002: Petascale Simulations of Core-Collapse Supernovae
  Christian D. Ott

Session X

X11. Invited Session: New Computational Techniques for Astrophysics
- X11.00003: Chemora: A Scalable PDE Solving Framework for Modern HPC Architectures
  Erik Schnetter

APS March Meeting 2014

Session A

A1. Recent Advances in Density Functional Theory I
- A1.00005: Gedanken Densities and Lower Bounds in Density Functional Theory
  John P. Perdew
A23. Invited Session: Phase Transitions in Classical and Quantum Lattice Models
- A23.00003: Deconfined Quantum Criticality and Phase Transitions in 3D Classical Loop Models
  John Chalker
A31. Focus Session: Computational Discovery and Design of New Materials I
- A31.00001: Materials Discovery via CALYPSO Methodology
  Yanming Ma
A32. Invited Session: Simulation of Materials: Quantum Computing Meets Classical Computing
- A32.00001: Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics: Quantum many-body physics of ultracold molecules in optical lattices: models and simulation methods
  Michael Wall

Session B

B27. Focus Session: Petascale Science and Beyond: Applications and Opportunities for Materials Science I
- B27.00001: Condensed Matter Applications of Quantum Monte Carlo at the Petascale
  David Ceperley

Session D

D14. Invited Session: Algorithms from Statistical Physics and the Physics of Algorithms
- D14.00001: Fast algorithms for glassy materials: methods and explorations
  A. Alan Middleton
D27. Focus Session: High Performance Computing in Density Functional Theory
- D27.00008: ABINIT: Plane-Wave-Based Density-Functional Theory on High Performance Computers
  Marc Torrent

Session G

G26. Focus Session: Materials in Extremes: Phase Transitions
- G26.00001: Computation of temperature induced phase transitions at high pressure
  Anatoly Belonoshko
G39. Invited Session: Advanced First-Principles Methods for Complex Oxides
- G39.00001: Formal Valence, $3d$ Occupation, and Charge Ordering Transitions
  Warren Pickett

Session M

M1. Recent Advances in Density Functional Theory VI
- M1.00001: The derivative discontinuity of the exchange-correlation functional
  Aron Cohen
M27. Focus Session: Petascale Science and Beyond: Applications and Opportunities for Materials Science III
- M27.00001: Exciting Quantized Vortex Rings in a Superfluid Unitary Fermi Gas
  Aurel Bulgac

Session Q

Q14. Invited Session: Physics of Proteins: New Insights on Hydrogen Bonding and Proton Transfer
- Q14.00002: Proton transfer and water exchange in the green fluorescent protein
  Noam Agmon
- Q14.00005: Contribution of Hydrogen Bonds to Protein Stability
  Nick Pace

Session W

W32. Invited Session: Quantum Mechanics Applied to Biophysical Problems
- W32.00001: Principles Governing Metal Ion Selectivity in Ion Channel Proteins
  Carmay Lim

Session Y

Y26. Focus Session: Modeling of Rare Events
- Y26.00004: Computing Rates of Small Molecule Diffusion Through Protein Channels Using Markovian Milestoning
  Cameron Abrams

APS April Meeting 2013

Session C

C4. Invited Session: Nature's Particle Accelerators
- C4.00001: Understanding particle acceleration at supernova shocks
  Damiano Caprioli
- C4.00003: Quasars in miniature: new insights into particle acceleration from X-ray binaries
  Sera Markoff

Session G

G6. Invited Session: Computational Physics at the Bleeding Edge
- G6.00002: Computational Cosmology at the Bleeding Edge
  Salman Habib
- G6.00003: Computational Plasma Physics at the Bleeding Edge: Simulating Kinetic Turbulence Dynamics in Fusion Energy Sciences
  William Tang

APS March Meeting 2013

Session B

B24. Focus Session: Materials in Extremes: High-Strain-Rate Phenomena
- B24.00005: Efficient semiclassical quantum nuclear effects for shock compression studies
  Evan Reed

Session C

C9. Invited Session: Recent Developments in Density Functional Theory I
- C9.00001: Aneesur Rahman Prize for Computational Physics Lecture: Addressing Dirac's Challenge
  James Chelikowsky
- C9.00002: Recent Progress in Linear Scaling DFT
  David Bowler
- C9.00003: Electron response in van der Waals density functionals
  Per Hyldgaard
C39. Focus Session: Materials for Electrochemical Energy Storage I
- C39.00004: Architectures for Nanostructured Batteries
  Gary Rubloff

Session F

F5. Focus Session: Computational Discovery and Design of New Two-dimensional Materials beyond Graphene
- F5.00001: Electronic and magnetic properties of 2D BCN nanostructures
  Hyoungki Park

Session G

G11. Invited Session: Concurrent Multiple Length-Scale Modelling
- G11.00004: Coarse-graining molecular dynamics models using an extended Galerkin method
  Xiantao Li

Session J

J25. Focus Session: Explicitly correlated Methods and Quantum Few-Body Systems
- J25.00001: Ultracold physics with 3, 4, or 5 atoms
  Chris Greene

Session N

N37. Focus Session: Fe-based Superconductors: Spin Fluctuations
- N37.00001: Neutron Scattering as a Probe of Fermi Surface Nesting in Iron-Based Superconductors
  Raymond Osborn
N38. Novel Photophysics and Transport in NanoPV I
- N38.00005: Quantum coherence and noise in open quantum systems
  Ahsan Nazir

Session Y

Y3. Invited Session: New Directions in Fractional Quantum Hall Phenomena
- Y3.00004: Tunable interactions and the fractional quantum Hall effect
  Zlatko Papic
Y37. Focus Session: Fe-based Superconductors: Vortices and Critical Fields
- Y37.00010: Flux flow of iron based superconductors
  Atsutaka Maeda