DCP-Sponsored Focus Sessions at the APS March Meeting 2019
The following five focus sessions are scheduled throughout the week of the March 2019 meeting. A complete list of titles of the invited talks may be found on the DCP webpage.
Gas Phase Clusters - Experiment and Theory in Concert
Organizers: Joachim Sauer and Knut Asmis
The aim of the symposium is to bring together world-leading experts on structure and reactivity of gas phase clusters and to discuss future directions in this field. The role of gas phase clusters as model systems for related condensed phase systems will be emphasized.
Invited speakers: David Dixon, Marie-Pierre Gaigeot, Etienne Garand, Sheng-Gui He, Masahiko Ichihashi, Mark Johnson, Daniel Neumark, Cristina Puzzarini, Helmut Schwarz, Gereon Schatteburg-Niedner
Molecular Magnetism and Quantum Information
Organizers: Bess Vlaisavljevich, Mark Pederson, Evelyn Goldfield and Michael Berman
This symposium will bring together experts in the field of molecular magnetism to define current challenges in this field, examine conditions under which their behaviors transform from classical to quantum, and determine how coherent spin effects arise and break down. In addition to possible qubit and quantum-sensor design, talks aimed at rigorous understanding of field-, photon-, or electron- induced control or interrogation of such systems in chemical, physical and aqueous environs are encouraged as are talks that investigate the role of spin physics in similar naturally occurring functional inorganic molecules and poly-radical biochemical compasses.
Invited speakers: George Christou, Annie Powell, Juan Peralta, Kyungwha Park, Coen de Graaf, Eliseo Ruiz, Alan Aspuru-Guzik, Jeffrey Rinehart
Bridging the Gap Between Theory and Experiment in Gas-Phase Spectroscopy and Dynamics
Organizers: Cristina Puzzarini and Julien Bloino
The aim of the symposium is to bring together world experts on state-of-the-art computational and experimental techniques to discuss (i) the key role played by the interplay of experiment and theory in spectroscopy gas-phase studies, (ii) the target accuracy and challenges to be faced by computations when aiming at reproducing and predicting experimental results, and (iii) future directions.
Invited speakers: Vincenzo Barone, Francesca Calegari, Tucker Carrington, Jr., Ryan Fortenberry, Markus Reiher Kenneth Ruud, Yunjie Xu, Nadia Rega, Maria Eugenia Sanz, Patrick H. Vaccaro
Periodic Quantum Chemistry Beyond DFT
Organizers: Timothy C. Berkelbach and Garnet Chan
The accurate simulation of many electronic phenomena in the condensed phase requires tools with predictive power beyond that of DFT. This Focus Session will bring together researchers working on such techniques for systems with explicit periodicity. Represented approaches will include those based on many-electron wavefunctions, Green's functions, quantum Monte Carlo, and embedding formalisms. Emphasis will be placed on a comparison of the strengths and weaknesses of various methods and collaborative opportunities to advance the field of condensed-phase electronic structure.
Invited speakers: Brenda Rubenstein, Giulia Galli, Mario Motta, Qiming Sun, Andreas Gruneis, Jason Goodpaster
Advances in Hierarchical Systems: Theory and Experiments
Organizers: Neeraj Rai and Dongxia Liu
Organic and/or inorganic hierarchical systems with multiple temporal and spatial scales display novel functionalities and find applications in catalysis, optoelectronics, and sensors. This symposium will bring together experts working in the field of synthesis, characterization, and modeling of hierarchical systems to discuss recent advances and future research directions.
Invited Speakers: Joachim Sauer, Sanat Kumar, Svetlana Mintova, Sankar Nair Jason Hicks, Nicholas Brunelli, Wei Fan, Michelle Ostraat Alexandar Katz, Ilja Siepman
DCP Focus Sessions 2019 Poster