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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 ab-initio Molecular Dynamics and the use of Machine Learning techniques in molecular simulations.
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Section L01