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ME 346 : Introduction to Molecular Simulations
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Algorithms of molecular simulations and underlying theories. Molecular dynamics, Monte Carlo, energy minimization, and transition path search algorithms. Classical dynamics in Hamiltonian and Lagrangian form. Elementary statistical mechanics: ensembles, Boltzmann?s distribution, and free energy. Measure and control of temperature and stress in molecular systems. Length and time scale limits of simulation methods. Applications in solids, liquids, and biomolecules. Programming in Matlab. 3 units, Aut |
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Meeting Time & Place |
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| Instructors | Office Hours & Locations |
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| Wei Cai Keonwook Kang (TA) |
(TBA) Durand 259 (TBA) |
| Lecture Note (last updated: 6/5/2019) |
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