Pinned 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"
AgBi_double_perovskite
DFT optimised crystal structures of Cs2AgBiX6 Double Perovskites | DOI: 10.1021/acsenergylett.6b00471
AIMD_Toolkit
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
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
analysis
ascii-phonons
Blender extensions for illustrations of phonons
ASE-Tutorials
Examples of using the Atomic Simulation Environment
dielectric_mixture
A python script for the calculation of the effective dielectric constant for a mixture of two phases
IETsim
Simulations of Interfacial Electron Transfer
INCAR
A generic INCAR file for the density functional theory package VASP
ljzhou86's Repositories
ljzhou86/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"
ljzhou86/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
ljzhou86/CatKit
General purpose tools for high-throughput catalysis
ljzhou86/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
ljzhou86/COMBO
ljzhou86/deeplearning-models
A collection of various deep learning architectures, models, and tips
ljzhou86/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
ljzhou86/FTCP
FTCP code
ljzhou86/Hefei-NAMD
ab-initio nonadiabatic molecular dynamics program
ljzhou86/irrep
ljzhou86/kg4vasp
Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
ljzhou86/Li-ion-hierarchical-clustering
ljzhou86/Li-ion-spectral-clustering
ljzhou86/liujiang_zhou.github.io
Dr. Liujiang Zhou's personal page
ljzhou86/Machine-Learning-in-Action-Python3
《机器学习实战》python3源码
ljzhou86/maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
ljzhou86/maptool
Materials Project Tool : An useful tool for manipulating, analying and visualization materials simulation codes.
ljzhou86/mcsolver
A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
ljzhou86/mmsp
The Mesoscale Microstructure Simulation Project
ljzhou86/mof_screen
High-throughput DFT of MOFs using ASE/VASP
ljzhou86/multiscale_winterschool_2021
Multiscale Mechanics for Industrial Applications Winter School 2021
ljzhou86/NEXMD-1
ljzhou86/nonrad
Implementation for computing nonradiative recombination rates in semiconductors
ljzhou86/periodic-NBO
ljzhou86/phaseField
PRISMS-PF: An Open-Source Phase-Field Modeling Framework
ljzhou86/phasefield-precipitate-aging
Phase field model for precipitate aging in ternary analogues to Ni-based superalloys
ljzhou86/SISSO
A data-driven method based on compressed-sensing for identifying descriptors for materials properties and functions
ljzhou86/SLAMDUNCS
A deep learning Bayesian framework for attribute driven inverse materials design
ljzhou86/tutorials-1
Yambo Tutorials
ljzhou86/Tutorials_CP2K
Tutorials on CP2K calculations