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6A gibbs-free-energy · GitHub Topics · GitHub

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gibbs-free-energy

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Mauro-Prencipe / QM-thermodynamics

Computation of thermodynamic properties of crystals from ab initio calculation of static energies and vibrational frequencies.

quantum-mechanics thermodynamics equation-of-state thermal-expansion phase-transitions statistical-thermodynamic compressibility gibbs-free-energy mineral-equilibria

Updated Jun 9, 2023
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