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GPUMD Public
Graphics Processing Units Molecular Dynamics
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Sample codes for my book on molecular dynamics simulation
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NEP_CPU Public
CPU version of NEP
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GPUMD-Tutorials Public
Tutorials related to GPUMD
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CUDA-Programming Public
Sample codes for my CUDA programming book
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lammps-MatPL Public
Forked from LonxunQuantum/lammps-MatPLThe LAMMPS interface for the machine learning force field of MatPL.
C GNU General Public License v3.0 UpdatedOct 30, 2025 -
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Modern-CPP-Programming Public
Forked from federico-busato/Modern-CPP-ProgrammingModern C++ Programming Course (C++03/11/14/17/20/23/26)
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atomistic-software Public
Forked from ltalirz/atomistic-softwareTracking citations of atomistic simulation engines
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udlbook Public
Forked from udlbook/udlbookUnderstanding Deep Learning - Simon J.D. Prince
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gpuqt Public
A CUDA-implementation of linear-scaling quantum transport methods
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deepmd-kit Public
Forked from deepmodeling/deepmd-kitA deep learning package for many-body potential energy representation and molecular dynamics
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simple-ga-matlab Public
A 50-line Matlab implementation of a simple genetic algorithm
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GPUGA Public
Graphics Processing Units Genetic Algorithm
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VASP-post-processing Public
Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.
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solid-state-physics Public
Sample codes on computational solid state physics
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lsqt-matlab Public
A 200-line MATLAB code for a linear-scaling quantum transport method
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AGF-phonon-transport Public
A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport
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MATLADY Public
A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials
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dynamical-matrix-matlab Public
A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential
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LSQT-Jupyter Public
A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)
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NEGF-phonon-1D-matlab Public
A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method
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RGF-electron-matlab Public
A 100-line MATLAB code for the recursive Green's function method for electron transport
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tbmd Public
Forked from edu159/tbmdTight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)
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