Pinned Repositories
cloudimg
EJ_Calc
Code for calculation of the exchange coupling constants
exchanges
Exchange parameters of Heisenberg model calculation via Green's function approach
gpt_academic
为ChatGPT/GLM提供图形交互界面，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm2等本地模型。兼容文心一言, moss, llama2, rwkv, claude2, 通义千问, 书生, 讯飞星火等。
irvsp
Please cite this code as: J. Gao, Q. Wu, C. Persson, Z. Wang, Irvsp: To obtain irreducible representations of electronic states in the VASP, Computer Physics Communications (2021) 107760, https://doi.org/10.1016/j.cpc.2020.107760.
jexchange
jexchange calculates exchange interactions among magnetic sites within the Heisenberg model.
kp_tblg
A relaxed kp model of twisted bilayer graphene
Machine-learning-on-materials-research
Phonopy_VESTA
Export Eigenvectors from Phonopy format to VESTA
VASP-plot-modes
Code to convert DFPT modes in OUTCAR files to VESTA images
Zhangquan2018's Repositories
Zhangquan2018/Phonopy_VESTA
Export Eigenvectors from Phonopy format to VESTA
Zhangquan2018/cloudimg
Zhangquan2018/EJ_Calc
Code for calculation of the exchange coupling constants
Zhangquan2018/gpt_academic
为ChatGPT/GLM提供图形交互界面，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm2等本地模型。兼容文心一言, moss, llama2, rwkv, claude2, 通义千问, 书生, 讯飞星火等。
Zhangquan2018/irvsp
Please cite this code as: J. Gao, Q. Wu, C. Persson, Z. Wang, Irvsp: To obtain irreducible representations of electronic states in the VASP, Computer Physics Communications (2021) 107760, https://doi.org/10.1016/j.cpc.2020.107760.
Zhangquan2018/jexchange
jexchange calculates exchange interactions among magnetic sites within the Heisenberg model.
Zhangquan2018/kp_tblg
A relaxed kp model of twisted bilayer graphene
Zhangquan2018/Machine-Learning-with-Python
Small scale machine learning projects to understand the core concepts . Give a Star 🌟If it helps you. BONUS: Interview Bank coming up..!
Zhangquan2018/matminer_examples
A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
Zhangquan2018/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Zhangquan2018/mkm-NH3
Zhangquan2018/nonrad
Implementation for computing nonradiative recombination rates in semiconductors
Zhangquan2018/pyphotonics
Zhangquan2018/quantum-honeycomp
Package to perform tight binding calculation in tight binding models, with a friendly user interface
Zhangquan2018/Spin-Texture-VASP
Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures
Zhangquan2018/STM_2DScan
STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric data from a file with CHGCAR/PARCHG format and then interpolates the data onto specified two-dimensional (2D) slice in an arbitrary xy-plane, which will be saved as a '.png' format file.
Zhangquan2018/structures-of-TM-graphene
Zhangquan2018/TB2J
Zhangquan2018/TB2J_examples
Examples for the TB2J code
Zhangquan2018/tbhcnn
Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB model for the InSe nanoribbon; Check the example_variation_one.py to optimize a given Wannier TB model for 2-D black phosphorus.
Zhangquan2018/Thermal-conductivity
Calculating thermal conductivity
Zhangquan2018/TightBinding.jl
This can construct the tight-binding model and calculate energies
Zhangquan2018/vampire-workshop
Resources and files for the advanced vampire workshop
Zhangquan2018/VaspBandUnfolding
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
Zhangquan2018/VaspPoscarMayavi
Use 3D visualization software Mayavi to visualize VASP POSCAR file.
Zhangquan2018/vibrational_modes
The python file contains a set of functions to extract vibrational modes, vibrational frequencies, create an xyz file of the modes and also to make a movie from an OUTCAR file. This code is particular useful for people perfoming quantum chemical calculations using VASP.
Zhangquan2018/wannier-tutorials
A repository hosting materials used during the Wannier90 tutorials
Zhangquan2018/wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
Zhangquan2018/xtb
Semiempirical Extended Tight-Binding Program Package
Zhangquan2018/Zhangquan2018.github.io
个人博客