Author(s): Fei Shuang, Penghua Ying, Kai Liu, Zixiong Wei, Fengxian Liu, Zheyong Fan, Minqiang Jiang, and Poulumi Dey
Machine-learning interatomic potentials (MLIPs) with broad chemical flexibility are essential for atomistic simulations of compositionally complex alloys, but their deployment in large-scale molecular dynamics requires a balance among accuracy, efficiency, stability, transferability, and uncertainty…
[Phys. Rev. Materials 10...