2 papers
cond-mat.mtrl-sci2025
An empirical formulation of accelerated molecular dynamics for simulating and predicting microstructure evolution in materials
Liang Wan, Qingsong Mei, Haowen Liu +4
Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we…
cond-mat.mtrl-sci2023
Highly efficient and transferable interatomic potentials for α-iron and α-iron/hydrogen binary systems using deep neural networks
Shihao Zhang, Fanshun Meng, Rong Fu +1
Artificial neural network potentials (NNPs) have emerged as effective tools for understanding atomic interactions at the atomic scale in various phenomena. Recently, we developed h…