cond-mat.mtrl-sci physics.comp-ph
A Generator of Neural Network Potential for Molecular Dynamics: Constructing Robust and Accurate Potentials with Active Learning for Nanosecond-scale Simulations
Naoki Matsumura Yuta Yoshimoto Tamio Yamazaki Tomohito Amano Tomoyuki Noda Naoki Ebata Takatoshi Kasano Yasufumi Sakai