Pinned Repositories
2019_workshop
2020_webinar
AFLOWpi
Minimalist infrastructure for high-throughput calculations
aimsgb
Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
ase-espresso
ase interface for Quantum Espresso
AttenGpKa
Predicting pKa of different molecules in various solvents
charged-defects
charged defect analysis
CoFFEE
Corrections for formation energy and eigenvalues for charged defect simulations
Deep-Learning-Papers-Reading-Roadmap
Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!
GBpy
GBpy is an opensource python package for calculating the geometric properties of interfaces in crystals.
wwmeng's Repositories
wwmeng/2019_workshop
wwmeng/2020_webinar
wwmeng/AFLOWpi
Minimalist infrastructure for high-throughput calculations
wwmeng/aimsgb
Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
wwmeng/AttenGpKa
Predicting pKa of different molecules in various solvents
wwmeng/CoFFEE
Corrections for formation energy and eigenvalues for charged defect simulations
wwmeng/Deep-Learning-Papers-Reading-Roadmap
Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!
wwmeng/DefectsWithTheBoys
Collection of Python modules & functions to perform and process solid-state defect calculations
wwmeng/DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
wwmeng/emc
Effective Mass Calculator for Semiconductors
wwmeng/Fermi-Surface
VASP subtool to draw Fermi-Surface; creates input file for Xcrysden
wwmeng/GQCA_alloys
Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)
wwmeng/hybrid-perovskites
DFT optimised crystal structures of inorganic and hybrid halide perovskites
wwmeng/irvsp
to compute Irreducible Representations of electronic states in Vienna ab-initio Simulation Package (irvsp) -------------------- Please cite arXiv:2002.04032 when you use any code in this repository.
wwmeng/maptool
Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
wwmeng/mctools
Quick tools for materials chemistry
wwmeng/ModeMap
A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
wwmeng/ntfsx
Mac NTFS 支持工具，使用electron-vue，muse-ui实现 ，界面漂亮，开源免费
wwmeng/py-sc-fermi
Python implementation of SC-Fermi
wwmeng/pyband
band plot using python matplotlib
wwmeng/PyChemia
Python Materials Discovery Framework
wwmeng/pylada-light
A physics computational framework for python and ipython
wwmeng/PyProcar
A python package for analyzing PROCAR files obtained from VASP and Abinit
wwmeng/sc-fermi
Calculates self-consistent Fermi level given defect formation energies and the density of states.
wwmeng/SCPC-Method
wwmeng/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).
wwmeng/VASP_BOND_FIX
Fixing bond length in relaxation process for VASP
wwmeng/VaspBandUnfolding
a python class for dealing with VASP WAVECAR.
wwmeng/wannier-tutorials
A repository hosting materials used during the Wannier90 tutorials
wwmeng/workshop
The Materials Project Workshop Curriculum