406 Software Engineering in and for the Molecular Sciences II

Tuesday, November 18, 2014: 3:15 PM
212 (Hilton Atlanta)
Description:
Software Engineering in and for the Molecular Sciences

Sponsor:
Computational Molecular Science and Engineering Forum
Co-Sponsor(s):
Thermodynamics and Transport Properties (01A)

Chair:
Frank T. Willmore
Email: frankwillmore@gmail.com

Co-Chair:
Eric Jankowski
Email: Eric.Jankowski@colorado.edu


3:15 PM
(406a) Scalable Monte Carlo Simulations of Millions of Particles on Thousands of GPUs
Joshua A. Anderson, M. Eric Irrgang and Sharon C. Glotzer

3:55 PM
(406b) Polymatic: A General Simulated Polymerization Algorithm
Lauren J. Abbott and Coray M. Colina

4:20 PM
(406c) Cassandra: A Novel, Open-Source Monte Carlo Molecular Modeling Platform for Materials Modeling
Jindal K Shah, Edward Maginn and Eliseo MarinRimoldi

4:45 PM
(406d) Development of a GPU Optimized Gibbs Ensemble Monte Carlo Simulation Engine
Jason R. Mick, Kamel I. Rushaidat, Brock Jackman, Yuanzhe Li, Loren Schwiebert and Jeffrey J. Potoff

5:10 PM
(406e) A Parallel Fortran Code to Perform Density Derived Electrostatic and Chemical (DDEC) Analysis
Nidia Gabaldon Limas and Thomas A. Manz
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
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