Zhiqiang Li's repositories
al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
aml
A... M... L...
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dpgen
The deep potential generator
go-gen
Graphene oxide structure generator
GPUMD
Graphics Processing Units Molecular Dynamics
lammps
Lammps input files
Lammps_tools
Some scripting tools used for lammps input or output
lizhiqiang100
Config files for my GitHub profile.
material_simulation_scripts
Useful scripts for material simulation software & pkgs
PIMD-F90
PIMD-F90 is a path integral molecular dynamics (PIMD) code written in Fortran-90 for studying nuclear quantum effects in water. The code performs classical MD or links to SIESTA DFT package.
potentials-library
Complete library directory for the potentials Python package, i.e. contains copies of records from potentials.nist.gov
PseudoGenerator
The generator of good pseudopotentials for SIESTA code.
shc-python-tools
Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
somd
Molecular dynamics package designed for the SIESTA DFT code.
study
leaninging
TiO2-Water
This repo contains the training data used to train a Deep Neural Network Potential for the TiO2-Water interface
water_ice_nep
Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"
zzu_commute_helper
郑大健康状况上报平台脚本