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View calorine project

materials-modeling / calorine

A python tool box for GPUMD simulations

hiphive gpumd force constants molecular dy... phonons thermal cond... machine lear... neural netwo... Python thermal tran... atomic scale... physics condensed ma...

14

Updated Dec 17, 2025

14 4 0 9

Updated Dec 17, 2025
View hiphive project

materials-modeling / hiphive

High-order force constants for the masses

force constants phonons thermal cond... anharmonicity statistical ... molecular dy... physics condensed ma... Python thermal tran... atomic scale... Atomistic si...

31

Updated Nov 14, 2025

31 24 0 5

Updated Nov 14, 2025