zqhuang2014's repositories
CPTI
a workflow to do constant potential thermodynamic integration in VASP
VASP-tutorial
Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research of Catalonia (ICIQ) during September 2021.
SurfinPy
Thermodynamic Phase Diagram Generator
LobsterPy
Package to automatically analyze Lobster runs
CS-Books
超过1000本的计算机经典书籍、个人笔记资料以及本人在各平台发表文章中所涉及的资源等。书籍资源包括C/C++、Java、Python、Go语言、数据结构与算法、操作系统、后端架构、计算机系统知识、数据库、计算机网络、设计模式、前端、汇编以及校招社招各种面经~
HIVE4-tools
Post-processing tool-set for ab-intio calculations using VASP.
machine-learning-yearning-cn
Machine Learning Yearning 中文版 - 《机器学习训练秘籍》 - Andrew Ng 著
Occupation-matrix-control-in-VASP
Occupation matrix control modification VASP
micki
Object-oriented microkinetic modeling package using ASE
pure-bash-bible
📖 A collection of pure bash alternatives to external processes.
CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
Multiscale-KMC
Kinetic Monte Carlo with multiple time scales and sensitivity analysis
VASP-NEB
Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
wtfpython-cn
wtfpython的中文翻译/施工结束/ 能力有限，欢迎帮我改进翻译
DFT-EXERCISES
DENSITY FUNCTIONAL THEORY EXERCISES
Way-to-Algorithm
Algorithm Tutorial and Source Code
Student-resources
本文介绍的是利用学生身份可以享受到的相关学生优惠权益，但也希望各位享受权利的同时不要忘记自己的义务，不要售卖、转手自己的学生优惠资格，使得其他同学无法受益。
notes-python
中文 Python 笔记
CatKit
General purpose tools for high-throughput catalysis
crash-course-computer-science-chinese
:computer: 计算机速成课 | Crash Course 字幕组 (全40集 2018-5-1 精校完成)
kmos
kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
machine_learning_basics
Plain python implementations of basic machine learning algorithms
intro2kmos
Material for the Introduction to kmos hands-on session
computerTools
Efficient computer tools!
VASPy
Manipulating VASP files with Python.