9 posts in total
2026
适用于QM/MM模拟的一些技巧
支持QM/MM-Ewald的Amber24编译
2025
Force Field Fitting based on DMFF- I. Topology Transformation
在GROMACS中使用OPC水模型
Reaction-Rate Theory - Fifty Years after Kramers 翻译（一）
2024
Molecular Dynamics in NVE ensemble
Basis of Statistical Mechanics in Equilibrium Ensemble
Molecular Dynamics in NVT ensemble (Working On)
A Python Demo for MD simulation of Lennard-Jones Fluid in NVT Ensemble