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Monte Carlo and Molecular Dynamics Simulation in Statistical Physics & Materials Science

MSE 504/CHM 560/PHY 512/CBE 520

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This course examines methods for simulating matter at the atomistic scale with emphasis on the concepts that underline modern computational methodologies for classical many-body systems at or near statistical equilibrium. The course covers Monte Carlo and Molecular Dynamics (from basics to advanced techniques), and includes an introduction to molecular coarse graining and the use of Machine Learning techniques in molecular simulations.
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Section L01