Introduction to Ab Initio Molecular Dynamics

Introduction to Ab Initio Molecular Dynamics
by Juerg Hutter

Publisher: University of Zurich 2002
Number of pages: 120

Description:
The aim of molecular dynamics is to model the detailed microscopic dynamical behavior of many different types of systems as found in chemistry, physics or biology. Molecular dynamics is a technique to investigate equilibrium and transport properties of many–body systems.