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

MSE 504/CHM 560/PHY 512/CBE 520

1254
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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.Central to the learning experience will be a set of self-contained numerical projects on simple model systems, using popular simulation packages to provide hands-on experience on the matter of the course.