The aims of this workshop are to (i) provide a working understanding of theoretical and computational methods for understanding molecules and their reactivity in the gas- and liquid- phases, and (ii) introduce existing software for obtaining observable quantities describing such systems.  The workshop is divided into two 1.5 hour interactive lectures separated by a break in the morning, and hands-on computer laboratory work in the afternoon.  The latter is intended to help participants apply the methods and programs beyond the course.

Day 1: Review of classical mechanics.  Statistical mechanics, ideal systems. 
*Hands-on computer laboratory on molecular mechanics.

Day 2:  Nonideal systems, spin Ising model.  Continuum liquids.
*Hands-on computer laboratory on the Ising model.

Day 3:  Current research topics in statistical mechanics and dynamics. Molecular mechanics. 
*Hands-on computer laboratory on classican and quantum-mechanical models of liquid structure.

Day 4:  Hartree-Fock molecular orbital theory and basis sets. 
*Hands-on computer laboratory on electronic structure.

Day 5:  Introduction to electron correlation methods.  Current research topics in electronic structure theory.