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Solid–Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics
9小时前
已完结
ABACUS: An electronic structure analysis package for the AI era
9天前
已关闭
Electrochemistry-Enhanced Dynamic Path Sampling for Reaction Rate Calculations Considering Nuclear Quantum Effects
12天前
已完结
Electrochemical Potential Fluctuation Matters in Rate Constant Calculations for Proton-Coupled Electron Transfer
12天前
已完结
Constant-Potential Machine Learning Force Field for the Electrochemical Interface
12天前
已完结
Electron Alchemy with Machine Learned Interatomic Potentials: Case Studies of Local Charge in Bond Dissociation Curves
2个月前
已完结
Integrating Charge Equilibration with Equivariant Machine-Learning Interatomic Potentials
2个月前
已关闭
Lessons Learned from Semiempirical Methods for the Li-Ion Battery Solid Electrolyte Interphase
3个月前
已完结
A predictive machine learning force-field framework for liquid electrolyte development
3个月前
已完结
A Unified Predictive and Generative Solution for Liquid Electrolyte Formulation
3个月前
已完结
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