Pinned Repositories
AICON2
AICON2: A program for calculating transport properties quickly and accurately
BerryPI
Software to study polarization of crystalline solids with density functional all-electron package
Chemical-Data-Download
Download Dataset (MP, OQMD, AFLOW, JARVIS etc.) using Matminer, Restful API and AFLUX
cp2k
Quantum chemistry and solid state physics software package
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dev-sidecar
开发者边车，github打不开，github加速，git clone加速，git release下载加速，stackoverflow加速
effmass
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
lammps
Public development project of the LAMMPS MD software package
mpiPyMC
A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.
Protein-Prediction
Ab initio protein prediction code based on USPEX
zhangyuwen984's Repositories
zhangyuwen984/lammps
Public development project of the LAMMPS MD software package
zhangyuwen984/AICON2
AICON2: A program for calculating transport properties quickly and accurately
zhangyuwen984/BerryPI
Software to study polarization of crystalline solids with density functional all-electron package
zhangyuwen984/cp2k
Quantum chemistry and solid state physics software package
zhangyuwen984/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
zhangyuwen984/dev-sidecar
开发者边车，github打不开，github加速，git clone加速，git release下载加速，stackoverflow加速
zhangyuwen984/effmass
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
zhangyuwen984/FourPhonon
Our paper has been accepted at Comput Phys Commun and is available online: https://doi.org/10.1016/j.cpc.2021.108179. We highly recommend you put your related questions in 'Discussions' section.
zhangyuwen984/GPUMD
Graphics Processing Units Molecular Dynamics
zhangyuwen984/jarvis
JARVIS-Tools: an open-source software package for data-driven atomistic materials design
zhangyuwen984/matminer
Data mining for materials science
zhangyuwen984/ML_B-C-N
zhangyuwen984/NEP_CPU
CPU version of NEP
zhangyuwen984/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
zhangyuwen984/python-ace
zhangyuwen984/QUIP
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
zhangyuwen984/research-method
论文写作与资料分享
zhangyuwen984/spglib
C library for finding and handling crystal symmetries
zhangyuwen984/sumo
Heavyweight plotting tools for ab initio calculations
zhangyuwen984/TB2J
a python package for computing magnetic interaction parameters
zhangyuwen984/tdep
The Temperature Dependent Effective Potentials (TDEP) code
zhangyuwen984/thermo
Data-driven risk-conscious thermoelectric materials discovery
zhangyuwen984/Tools
DFT post processing tools
zhangyuwen984/TransOpt
The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivative method same as adopted in BoltzTrap (Method 2).
zhangyuwen984/vampire
Atomistic simulator for magnetic materials
zhangyuwen984/VASP-plot-modes
Code to convert DFPT modes in OUTCAR files to VESTA images
zhangyuwen984/VASP2WAN90_v2_fix
Fixing the VASP2WANNIER90v2 interface
zhangyuwen984/VaspVib2XSF
Visualize vibrational modes from VASP calculations
zhangyuwen984/VDOS
This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory files. It supports different file formats and offers flexibility in terms of data processing and analysis.
zhangyuwen984/wannier90
Official repository of the Wannier90 code