Campuses:

Tutorial on Car-Parrinello Molecular Dynamics

Tuesday, July 31, 2007 - 4:00pm - 5:30pm
EE/CS 3-180
Nicola Marzari (Massachusetts Institute of Technology), Arash Mostofi (University of Cambridge)
A hands-on tutorial on first-principles molecular dynamics, using
either Car-Parrinello or Born-Oppenheimer approaches, as
implemented in the CP package of the Quantum-ESPRESSO distribution.