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Lecture 3: Molecular dynamics: foundations II. <br> <em> Geometric integrators and applications to molecular dynamics.</em>
Presenter
- Benedict Leimkuhler
May 15, 2009
IMA
Lecture 2: Molecular dynamics: foundations I. <br> <em>Dynamical issues, ergodicity, and averages at constant energy.</em>
Presenter
- Benedict Leimkuhler
May 15, 2009
IMA
Lecture 1: Introduction to molecular simulation.<br> <em> An overview of molecular simulation and its application.</em>
Presenter
- Berend Smit
May 15, 2009
IMA
Special Topic 1: Quasicontinuum methods for coupling atomistic and continuum models
Presenter
- Mitchell Luskin
May 15, 2009
IMA
Lecture 4: Basics of statistical mechanics. <br> <em>Description of statistical mechanical ensembles and implications for simulation.</em>
Presenter
- Berend Smit
May 15, 2009
IMA
Lecture 11: Handling problems in MOLCAS (convergence, orbital selection, etc.)
Presenter
- Luis Serrano-Andrés
May 8, 2009
IMA
Lecture 5: Geometry optimizations with and without constraints
Presenter
- Roland Lindh
May 6, 2009
IMA