30 citations · 32 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2026
Kernel-Level Constant-Potential Molecular Dynamics in GROMACS
Sheng Bi, Mathieu Salanne, Jun Cheng +1
How charge rearranges within an electrode shapes the behavior of batteries, supercapacitors, and other electrochemical devices. Molecular simulations can capture this response by a…
physics.chem-ph2025★ 2 cited
Redox chemistry meets semiconductor defect physics
Jian Gu, Jun Huang, Jun Cheng
Understanding how the electronic structure of electrodes influences electrocatalytic reactions has been a longstanding topic in the electrochemistry community, with predominant att…
physics.chem-ph2025★ 30 cited
Decoding the Competing Effects of Dynamic Solvation Structures on Nuclear Magnetic Resonance Chemical Shifts of Battery Electrolytes via Machine Learning
Qi You, Yan Sun, Feng Wang +2
Understanding the solvation structure of electrolytes is critical for optimizing the electrochemical performance of rechargeable batteries, as it directly influences properties suc…