Pinned Repositories
30-Days-Of-Python
30 days of Python programming challenge is a step-by-step guide to learn the Python programming language in 30 days. This challenge may take more than100 days, follow your own pace. These videos may help too: https://www.youtube.com/channel/UC7PNRuno1rzYPb1xLa4yktw
academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
ai2-kit
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
aml
A... M... L...
CNT_water
CP2K_kit
CP2K_scripts
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
DOS-VACF-LAMMPS
Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
lizhiqiang100's Repositories
lizhiqiang100/30-Days-Of-Python
30 days of Python programming challenge is a step-by-step guide to learn the Python programming language in 30 days. This challenge may take more than100 days, follow your own pace. These videos may help too: https://www.youtube.com/channel/UC7PNRuno1rzYPb1xLa4yktw
lizhiqiang100/academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
lizhiqiang100/ai2-kit
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
lizhiqiang100/al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
lizhiqiang100/aml
A... M... L...
lizhiqiang100/CNT_water
lizhiqiang100/CP2K_kit
lizhiqiang100/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
lizhiqiang100/DOS-VACF-LAMMPS
Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
lizhiqiang100/dpgen
The deep potential generator
lizhiqiang100/GPUMD
Graphics Processing Units Molecular Dynamics
lizhiqiang100/GTH_PP_BS
lizhiqiang100/lammps
Lammps input files
lizhiqiang100/lizhiqiang100
Config files for my GitHub profile.
lizhiqiang100/material_simulation_scripts
Useful scripts for material simulation software & pkgs
lizhiqiang100/modecode
Massively parallel vibrational mode calculator.
lizhiqiang100/Mold
Lammps package including square-like well potential to implement Mold integration and Lattice mold techniques
lizhiqiang100/nep_deepmd_mutual_conversion
lizhiqiang100/papers
lizhiqiang100/potentials-library
Complete library directory for the potentials Python package, i.e. contains copies of records from potentials.nist.gov
lizhiqiang100/psiflow
Interatomic potential development library
lizhiqiang100/qm9pack
A Python package for data-mining the QM9 dataset
lizhiqiang100/shc-python-tools
Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
lizhiqiang100/somd
Molecular dynamics package designed for the SIESTA DFT code.
lizhiqiang100/TENSOAP
Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
lizhiqiang100/theme-academic-cv
🎓 无需编写任何代码即可轻松创建漂亮的学术网站 Easily create a beautiful academic résumé or educational website using Hugo and GitHub. No code.
lizhiqiang100/TiO2-Water
This repo contains the training data used to train a Deep Neural Network Potential for the TiO2-Water interface
lizhiqiang100/tools-and-data
A collection of tools and databases for atomistic machine learning
lizhiqiang100/VASP-DeepMD
lizhiqiang100/water_ice_nep
Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"