CHE 5493

Molecular Modeling and Simulation

Oklahoma State University · UGRD · Fall 2026

1 section

Catalog description

Description: Theory of statistical mechanics and its application to computing thermodynamic, transport and phase equilibria properties of fluids. Modeling of matter at molecular level and atomistic simulation methods such as Monte Carlo and molecular dynamics. Quantum calculation of thermodynamics for industrially relevant reactions. Software used: Cassandra, Gromacs, LAMMPS, and Gaussian. May not be used for degree credit with CHE 4493 .

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Class #oklahoma_state-1457Fall 2026UGRD

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