Topic: "first-principles-molecular-dynamics"
gmp007/smatool
Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials at both zero and finite temperatures
Language: Python - Size: 9.98 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 17 - Forks: 3
MineralsCloud/phq
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Language: Fortran - Size: 18 MB - Last synced at: 2 months ago - Pushed at: almost 6 years ago - Stars: 14 - Forks: 5
