activity
20202026
most citedLiquid-solid slip on charged walls: dramatic impact of charge distribution

120 citations · 122 across the 4 of their papers we have counts for

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physics.chem-ph2026

fix uvt and fix pimd/uvt: A Unified LAMMPS Framework for Constant-Potential Constant-Temperature Molecular Dynamics

Li Fu, Yifan Li, Shenzhen Xu

Accurate simulations of electrochemical interfaces require the simultaneous treatment of constant-potential conditions, nuclear quantum effects, and sufficient configurational samp…

physics.chem-ph2026

fix pimd/langevin: An Efficient Implementation of Path Integral Molecular Dynamics in LAMMPS

Yifan Li, Axel Gomez, Kehan Cai +10

Path integral molecular dynamics (PIMD), which maps a quantum particle onto a fictitious classical system of ring polymers and propagates the "beads" of this extended classical sys…