2 papers
cond-mat.mtrl-sci2025
A predictive machine learning force field framework for liquid electrolyte development
Sheng Gong, Yumin Zhang, Zhenliang Mu +13
Despite the widespread applications of machine learning force fields (MLFF) in solids and small molecules, there is a notable gap in applying MLFF to simulate liquid electrolyte, a…
physics.chem-ph2025
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng +44
In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for m…