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巨硬的NumPy

LAMMPS code for DFTB+

High-performance Fortran program to calculate polarizability and inverse dielectric response function.

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

⛔️ DEPRECATED – See https://github.com/ageron/handson-ml3 instead.

A modern GUI client based on Tauri, designed to run in Windows, macOS and Linux for tailored proxy experience

latex code from my first year of engineering.

NEP machine learning potential in LAMMPS

A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization

Programs for "Numerical Methods for Physics" by Alejandro Garcia

Programs for "Numerical Methods for Physics" by Alejandro Garcia

Tutorials for the Perturbo workshop 2020

Calculating electron-phonon couplings with DFTB.

Fortran 2018 standard examples with broad applications

Material for gpu-mode lectures

Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations

A repository for my completed courses that don't stand alone as a github repo

一款上手简单、系统集成度高、功能强大的 Windows 文件管理器

Wavelike and Particlelike Phonon Transport (WPPT) Solver

The Temperature Dependent Effective Potentials (TDEP) code

TDEP Tutorials

LAMMPS plugins for thermal conductivity and density of states calculation

用Python实现了《数学建模算法与应用》第二版中的部分示例代码. (原书中使用的是Matlab)

A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO

Advanced tool for Wannier interpolation and integration of k-space integrals

Working copy of TDEP software

Master the command line, in one page

A high-performance framework for solving phonon and electron Boltzmann equations

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.