ME346B: Introduction to Molecular Simulations

Teaching Assistant, Stanford University, Department of Mechanical Engineering, 2021

Algorithms of molecular simulations and underlying theories. Molecular dynamics, time integrators, modeling thermodynamic ensembles (NPT, NVT). Monte Carlo simulations. Applications in solids, liquids, polymers, phase transitions, and combination with machine learning tools. Examples provided in easy-to-use Python Notebooks. Final projects.

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