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/maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
zhenming-xu/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
zhenming-xu/pydefect
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
zhenming-xu/MachineLearning_Python
机器学习算法python实现
zhenming-xu/sqsgenerator
A command line tool written in Python/Cython for finding optimized SQS structures
zhenming-xu/WOBSTER
Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction
zhenming-xu/cp2k-input-tools
Fully validating pure-python CP2K input file tools including preprocessing capabilities
zhenming-xu/xtb-python
Python API for the extended tight binding program package
zhenming-xu/amset
Electronic transport properties from first-principles calculations
zhenming-xu/FitSNAP
Software for generating SNAP machine-learning interatomic potentials
zhenming-xu/convtest
A simple code for plane wave cutoff and kmesh convergence test
zhenming-xu/abinit
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
zhenming-xu/abiflows
High-throughput calculations with Abinit
zhenming-xu/vasp2wannier90
A python scirpt to submit the wannier90 fitting task based on VASP projectors.
zhenming-xu/CP2K-PDB2XDATCAR
A C program to convert CP2K PDB trajectory file to VASP XDATCAR format
zhenming-xu/abiconfig
Configuration files to configure/compile Abinit
zhenming-xu/awesome-python-chemistry
A curated list of Python packages related to chemistry
zhenming-xu/PIEFACE
Polyhedra Inscribing Ellipsoids for Analysing Coordination Environments
zhenming-xu/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).
zhenming-xu/wos_crawler
Web of Science Crawler
zhenming-xu/Matching-anion-framework-and-Li-local-environments-from-MP-database
Matching anion framework and Li local environments for lithium compounds from Materials Project database
zhenming-xu/PyXtal_FF
Machine Learning Interatomic Potential Predictions
zhenming-xu/abipy
Open-source library for analyzing the results produced by ABINIT
zhenming-xu/IT_book
本项目收藏这些年来看过或者听过的一些不错的常用的上千本书籍，没准你想找的书就在这里呢，包含了互联网行业大多数书籍和面试经验题目等等。有人工智能系列（常用深度学习框架TensorFlow、pytorch、keras。NLP、机器学习，深度学习等等），大数据系列(Spark,Hadoop,Scala,kafka等)，程序员必修系列（C、C++、java、数据结构、linux，设计模式、数据库等等）
zhenming-xu/Published-Papers
Published papers since 2016
zhenming-xu/mcsolver
A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
zhenming-xu/lammps-mlip-package
A user package of LAMMPS software enabling simulations using linearized machine learning potentials
zhenming-xu/effmass
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
zhenming-xu/kproj
KPROJ: A Band Unfolding Program
zhenming-xu/BestPractices
Things that you should (and should not) do in your Materials Informatics research.