2 papers
cond-mat.mtrl-sci2026
Trillion-atom molecular dynamics simulations with ab initio accuracy
Pengfei Suo, Wudi Cao, Xingxing Wu +14
Material properties are fundamentally dictated by multiscale phenomena, which often reach mesoscale in size. The μm mesoscale is also the size which can be observed directly under…
cond-mat.mtrl-sci2025
Advances in modeling complex materials: The rise of neuroevolution potentials
Penghua Ying, Cheng Qian, Rui Zhao +4
Interatomic potentials are essential for driving molecular dynamics (MD) simulations, directly impacting the reliability of predictions regarding the physical and chemical properti…