Pinned Repositories
-EMCS
《新能源材料计算模拟综合实践》
100-Days-Of-ML-Code
100-Days-Of-ML-Code中文版
1st_VASPKIT_CUP
Source codes of the 1st VASPKIT-PAPATERA CUP Awards
2019_workshop
2020_webinar
Data-and-Codes-for-Anion-charge-lattice-volume-dependent-Li-ion-migration-
Data and Codes for the paper of "Anion charge and lattice volume dependent Li ion migration in compounds with the face-centered cubic anion frameworks"
matador
⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.
Matching-anion-framework-and-Li-local-environments-from-MP-database
Matching anion framework and Li local environments for lithium compounds from Materials Project database
VASP-3
zhenming-xu
zhenming-xu's Repositories
zhenming-xu/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
zhenming-xu/auto-sklearn
Automated Machine Learning with scikit-learn
zhenming-xu/autokeras
AutoML library for deep learning
zhenming-xu/Calculate_U_VASP
Calculation of Hubbard U using VASP using linear response method developed by Matteo Cococcioni et.al
zhenming-xu/Code-WSY
Config files for my GitHub profile.
zhenming-xu/cryspnet
zhenming-xu/debug_for_pymatgen
Log10 revision for the script of diffusion_analyzer.py
zhenming-xu/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
zhenming-xu/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
zhenming-xu/DMCP
zhenming-xu/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
zhenming-xu/dpgen
The deep potential generator
zhenming-xu/flare
An open-source Python package for creating fast and accurate interatomic potentials.
zhenming-xu/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
zhenming-xu/LobsterPy
Package to automatically analyze Lobster runs
zhenming-xu/MatDeepLearn_DOS
MatDeepLearn for DOS prediction
zhenming-xu/MCHammer
Implementation of cheap Monte Carlo optimisation of bonds in molecules
zhenming-xu/mean-square-displacement-cp2k
Program to compute mean square displacement from CP2K PDB trajetory file.
zhenming-xu/modnet
MODNet: a framework for machine learning materials properties
zhenming-xu/modules
Environment Modules: provides dynamic modification of a user's environment
zhenming-xu/n2p2
n2p2 - A Neural Network Potential Package
zhenming-xu/nglview
Jupyter widget to interactively view molecular structures and trajectories
zhenming-xu/opencalphad
Open Calphad, thermodynamic calculation code
zhenming-xu/Postprocessing-for-alamode
Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative and differential lattice thermal conductivity.
zhenming-xu/py-sc-fermi
Python implementation of SC-Fermi
zhenming-xu/rid-kit
Reinforced dynamics
zhenming-xu/surfaxe
Dealing with slabs for first principles calculations of surfaces
zhenming-xu/ThermoPlotter
A tool for making data analysis and plotting scripts for thermoelectrics codes used in computational materials science.
zhenming-xu/vise
VASP Integrated Supporting Environment
zhenming-xu/zhenmingxu.github.com
Homepage of Zhenming_Xu