596 citations · 596 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2026
Differentiable OPLS Force Field Parameterization for Ionic Electrolytes and High-Throughput Application to Lithium-ion Batteries
Haichao Huang, Zilin Chen, Qi Liu +14
The rational design of ionic electrolytes for lithium-ion batteries (LIBs) is severely constrained by the vast solvent-salt combinatorial space and low efficiency of empirical tria…
physics.chem-ph2023★ 596 cited
DeePMD-kit v2: A software package for Deep Potential models
Jinzhe Zeng, Duo Zhang, Denghui Lu +44
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. T…