gpumd

There are 0 repository under gpumd topic.

brucefan1983 / GPUMD
Graphics Processing Units Molecular Dynamics
molecular-dynamics-simulation heat-transport cuda molecular-dynamics gpumd phonon gpu machine-learning physics-simulation simulation neural-network neuroevolution natural-evolution-strategies high-performance-computing machine-learning-potential
Language:Cuda 376
brucefan1983 / NEP_CPU
CPU version of NEP
gpumd nep neuroevolution pynep calorine machine-learned-potential neuroevolution-potential
Language:C++ 28
AlexGabourie / thermo
GPUMD and LAMMPS helper functions for thermal computations
gpumd lammps thermal
Language:Python 15