2 papers
physics.chem-ph2026
Explicit Electric Potential-Embedded Machine Learning Framework: A Unified Description from Atomic to Electronic Scales
Jingwen Zhou, Yawen Yu, Xuwei Liu +1
To further develop accurate and large-scale simulations of electrochemical interfaces, we propose a unified explicit electric potential framework to simultaneously predict atomic f…
physics.chem-ph2024
Constant-Potential Machine Learning Molecular Dynamics Simulations Reveal Potential-Regulated Cu Cluster Formation on MoS
Jingwen Zhou, Yunsong Fu, Ling Liu +1
Electrochemical processes play a crucial role in energy storage and conversion systems, yet their computational modeling remains a significant challenge. Accurately incorporating t…