gitlab.com topics: force constants
materials-modeling/calorine
[A python tool box for GPUMD simulations](https://calorine.materialsmodeling.org/)
Last synced at: about 8 hours ago - Stars: 14 - Forks: 4
materials-modeling/hiphive
[High-order force constants for the masses](https://hiphive.materialsmodeling.org)
Last synced at: about 22 hours ago - Stars: 30 - Forks: 24
Related Keywords
atomic scale simulation
2
condensed matter physics
2
force constants
2
molecular dynamics
2
phonons
2
physics
2
python
2
thermal conductivity
2
thermal transport
2
gpumd
1
hiphive
1
machine learning potentials
1
neural network potentials
1
Atomistic simulations
1
anharmonicity
1
statistical learning
1