zhangquan2018 Goto Github PK
Type: User
Type: User
Code for calculation of the exchange coupling constants
Exchange parameters of Heisenberg model calculation via Green's function approach
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。
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 calculates exchange interactions among magnetic sites within the Heisenberg model.
A relaxed kp model of twisted bilayer graphene
Small scale machine learning projects to understand the core concepts . Give a Star 🌟If it helps you. BONUS: Interview Bank coming up..!
A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction
Script library mainly about chemical physics.
Implementation for computing nonradiative recombination rates in semiconductors
Export Eigenvectors from Phonopy format to VESTA
Package to perform tight binding calculation in tight binding models, with a friendly user interface
Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures
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.
Python scripts created by the Materials Theory and Design Group to help with symmetry mode analysis
Examples for the TB2J code
A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE
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.
Calculating thermal conductivity
This can construct the tight-binding model and calculate energies
Resources and files for the advanced vampire workshop
Code to convert DFPT modes in OUTCAR files to VESTA images
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.