1 citations · 1 across the 1 of their papers we have counts for
3 papers
physics.comp-ph2026★ 1 cited
GPU-MetaD: Full-Life-Cycle GPU Accelerated Metadynamics with Machine Learning Potentials
Haoting Zhang, Qiuhan Jia, Zhennan Zhang +6
Large-scale molecular dynamics simulations with high accuracy have been increasingly popular for their capability to bridge the gap between atomistic modeling and mesoscale phenome…
physics.comp-ph2025
Scalable cell filter nudged elastic band (CFNEB) for large-scale transition-path calculations
Qiuhan Jia, Jiuyang Shi, Jian Sun
The nudged elastic band (NEB) method is one of the most widely used techniques for determining minimum-energy reaction pathways and activation barriers between known initial and fi…
cond-mat.mtrl-sci2024
General-purpose machine-learned potential for 16 elemental metals and their alloys
Keke Song, Rui Zhao, Jiahui Liu +25
Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicabil…