Molecular Dynamics and Monte Carlo Methods
Modeling and simulation methods will be covered that span from atomistic to mesoscale domains, with particular focus given to Molecular Dynamics and Monte Carlo methods. Topics will include simple sampling, importance sampling, Metropolis algorithm, Ising model, integration algorithms, ensembles, thermostats, force-fields, enhanced sampling approaches.
- Allen, M. P., and D. J. Tildesley. Computer Simulation of Liquids. New York, NY: Oxford University Press, 1989.
- Frenkel, D., and B. Smit. Understanding Molecular Simulation. 2nd ed. San Diego, CA: Academic Press, 2001.
This course is not offered in the academic year 2018/19