48 citations · 59 across the 3 of their papers we have counts for
3 papers
physics.comp-ph2026
NEPMaker: Active learning of neuroevolution machine learning potential for large cells
Junjie Wang, Shuning Pan, Haoting Zhang +4
Machine learning potentials (MLPs) achieve near first-principles accuracy but often fail for atomic environments outside the training distribution. Active learning can mitigate thi…
cond-mat.mtrl-sci2022★ 11 cited
Prediction of surface reconstructions using MAGUS
Yu Han, Junjie Wang, Chi Ding +4
In this paper, we present a new module to predict the potential surface reconstruction configurations of given surface structures in the framework of our machine learning and graph…
cond-mat.mtrl-sci2021★ 48 cited
Superionic silica-water and silica-hydrogen compounds under high pressure
Hao Gao, Cong Liu, Jiuyang Shi +6
Silica, water and hydrogen are known to be the major components of celestial bodies, and have significant influence on the formation and evolution of giant planets, such as Uranus…