Quantum Espress and GaussView/Gaussian 09
Friday, August 24, 2012
Richard J. Renaud Science Complex, room S185.01, Loyola Campus, Concordia University
7141 Sherbrooke Street West, Montreal, Quebec, Canada

Registration deadline: Wednesday, August 22nd, 2012

Two hands-on workshops will introduce participants to electronic structure calculations with the Quantum Espresso and Gaussian 09 software. The morning workshop will focus on Quantum Espresso, which is a suite of programs designed for modeling materials at the nanoscale using planewave pseudopotential density-functional theory. The afternoon workshop will focus on GaussView, a visualisation software, and Gaussian 09, a general suite of programs for atomic Gaussian basis functions-based electronic structure calculations. These workshops will overview the basic functionalities of the software for beginners and outline how to evaluate resources required to run and submit jobs efficiently on CERMM facilities (for beginners and advanced users). Only standard computer skills are required from participants.

Quantum Espresso: Xijun Wang
GaussView/Gaussian 09: Denise Koch

Friday, August 24th
10:00 - 12:00: TUTORIAL on Quantum Espresso
12:00 - 14:00: Lunch
14:00 - 16:30: TUTORIAL - GaussView and Gaussian 09
16:30 - 17:30: Reception