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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"
DFT optimised crystal structures of Cs2AgBiX6 Double Perovskites | DOI: 10.1021/acsenergylett.6b00471
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
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
Blender extensions for illustrations of phonons
Examples of using the Atomic Simulation Environment
ANI-1 neural net potential with python interface (ASE)
Evolve and Design Biochemical Reaction Networks
General purpose tools for high-throughput catalysis
Crystal graph convolutional neural networks for predicting material properties.
Classical Monte Carlo on Heisenberg model
Calculation of intersubband plasmons in doped carbon nanotubes.
A collection of crystal structures from first-principles simulations
Thermodynamic modelling of Cu2ZnSnS4 (CZTS) phase equilibria
Six snippets of code that made deep learning what it is today.
『ゼロから作る Deep Learning』のリポジトリ
A collection of various deep learning architectures, models, and tips
A deep learning package for many-body potential energy representation and molecular dynamics
A python script for the calculation of the effective dielectric constant for a mixture of two phases
A collection of fortran modules and routines based on SciFortran used in my DMFT or CondMat numerical codes.
Calculate simple semiconductor properties from effective mass theory using python
Matherials for the course Electronic structure calculations
Effective Mass Calculator for Semiconductors
Python implementation of Tully's Fewest Switches Surface Hopping
FTCP code
Graphics Processing Units Molecular Dynamics
Graphene 4-orbital TB band structure calculations
Figures and results for a magnetic model of Haldane's Honeycomb
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.