Due to local system maintenance on Tuesday, September 27th, nanoHUB will be unable to launch simulation jobs on clusters conte, rice, carter, and hansen. We apologize for any inconvenience.
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Mar 27 2015
Computational Science and Engineering Student Conference at Purdue University
Mark Thomas Lusk
[Illinois] PHYS466 2013: Atomic Scale Simulations
06 Feb 2013 | Courses | Contributor(s): David M. Ceperley
Application of Monte Carlo and Molecular Dynamics techniques in primarily classical simulations to understand and predict properties of microscopic systems in materials science, physics, biology,...
I want to ask about GAMESS program
Closed | Responses: 0
Edward Yesid Villegas
5.0 out of 5 stars
31 Jan 2011 | Tools | Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton
This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation
Muhammad Ali A. Elmessary
Podolskaya I. Natalie
Vladimir I. Gavrilenko