stat thermo concepts in code
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Updated
Jul 18, 2023 - Jupyter Notebook
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statistical-thermodynamic
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This is a NVT/NPT-Monte Carlo algorithm designed to evaluate the thermodynamic behavior of mixtures of some hard convex bodies: ellipsoids of revolution, spherocylinders, and cylinders.
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Updated
Feb 21, 2025 - Fortran
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
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Updated
Jun 9, 2023 - Jupyter Notebook
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