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Searching Results for T5.15-16.09:
Lecture 1: Introduction to molecular simulation.
An overview of molecular simulation and its application., Berend Smit  (University of California, Berkeley)
Lecture 2: Molecular dynamics: foundations I.
Dynamical issues, ergodicity, and averages at constant energy., Benedict Leimkuhler  (University of Edinburgh)
Lecture 3: Molecular dynamics: foundations II.
Geometric integrators and applications to molecular dynamics., Benedict Leimkuhler  (University of Edinburgh)
Lecture 4: Basics of statistical mechanics.
Description of statistical mechanical ensembles and implications for simulation., Berend Smit  (University of California, Berkeley)
Special Topic 1: Quasicontinuum methods for coupling atomistic and continuum models, Mitchell Luskin  (University of Minnesota)
Special Topic 2: Multiple time-scale methods, Frédéric Legoll  (École Nationale des Ponts-et-Chaussées)
Lecture 5: Control of the ensemble.
Controlling temperature and pressure in molecular dynamics., Benedict Leimkuhler  (University of Edinburgh)
Lecture 6: Free energy calculation.
Methods for coarse-graining a complex energy surface, reaction coordinates, Robert D. Skeel  (Purdue University)
Lecture 7: Monte Carlo methods.
Methods for sampling based on Monte Carlo and variants., Berend Smit  (University of California, Berkeley)
Lecture 8: Methods for polymer models.
Coarse grained models for mesoscale simulation, and methodology such as dissipative particle dynamics., Berend Smit  (University of California, Berkeley)
Special topic 3. Computation of force fields for molecular simulation, Robert Krasny  (University of Michigan)
Special Topic 4. Adaptive methods for free energy computation, Tony Lelievre  (Ecole Nationale des Ponts et Chaussees)
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