ljzhou86's repositories
active-learning-md
Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide"
Algorithm_Interview_Notes-Chinese
2018/2019/校招/春招/秋招/算法/机器学习(Machine Learning)/深度学习(Deep Learning)/自然语言处理(NLP)/C/C++/Python/面试笔记
CatKit
General purpose tools for high-throughput catalysis
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
deeplearning-models
A collection of various deep learning architectures, models, and tips
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
FTCP
FTCP code
Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
kg4vasp
Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
liujiang_zhou.github.io
Dr. Liujiang Zhou's personal page
Machine-Learning-in-Action-Python3
《机器学习实战》python3源码
maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
maptool
Materials Project Tool : An useful tool for manipulating, analying and visualization materials simulation codes.
mcsolver
A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
mmsp
The Mesoscale Microstructure Simulation Project
mof_screen
High-throughput DFT of MOFs using ASE/VASP
multiscale_winterschool_2021
Multiscale Mechanics for Industrial Applications Winter School 2021
nonrad
Implementation for computing nonradiative recombination rates in semiconductors
phaseField
PRISMS-PF: An Open-Source Phase-Field Modeling Framework
phasefield-precipitate-aging
Phase field model for precipitate aging in ternary analogues to Ni-based superalloys
SISSO
A data-driven method based on compressed-sensing for identifying descriptors for materials properties and functions
SLAMDUNCS
A deep learning Bayesian framework for attribute driven inverse materials design
tutorials-1
Yambo Tutorials
Tutorials_CP2K
Tutorials on CP2K calculations