Zheyong Fan

CUDA-Programming. Sample codes for my CUDA programming book

GPUMD. Graphics Processing Units Molecular Dynamics

Molecular-Dynamics-Simulation. Sample codes for my book on molecular dynamics simulation

GPUMD-Tutorials. Tutorials related to GPUMD

NEP_CPU. CPU version of NEP

AGF-phonon-transport. A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport

gpuqt. A CUDA-implementation of linear-scaling quantum transport methods

GPUGA. Graphics Processing Units Genetic Algorithm

solid-state-physics. Sample codes on computational solid state physics

LSQT-Jupyter. A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)

NEGF-phonon-1D-matlab. A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method

VASP-post-processing. Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.

MATLADY. A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials

RGF-electron-matlab. A 100-line MATLAB code for the recursive Green's function method for electron transport

dynamical-matrix-matlab. A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential

lsqt-matlab. A 200-line MATLAB code for a linear-scaling quantum transport method

simple-ga-matlab. A 50-line Matlab implementation of a simple genetic algorithm

hello-world. my first github project

deepmd-kit. A deep learning package for many-body potential energy representation and molecular dynamics

tbmd. Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)

udlbook. Understanding Deep Learning - Simon J.D. Prince