The course will focus on theoretical backgrounds for molecular modeling methods. We emphasize how to choose suitable simulation methods and correctly interpret outputs of molecular modeling packages. The outline of the course is:

* Atoms, Molecules, and Interactions
o Ab initio methods for many electron systems
o Electron correlation methods
o Density function theory

* Structures and Phases
o Solid state physics
o Simple statistical thermodynamics
o Empirical force field models and molecular mechanics

* Time-Evolution and State Transitions
o Molecular dynamics simulation methods
o Methods for exploring conformational space
o Free energy calculations

* Properties and Functions
o Brownian dynamics
o Monte Carlo simulation methods
o Coarse-graining approaches