591 Beyond Standard Hardware: GPUs, Cloud Computing and Crowdsourcing

Thursday, November 7, 2013: 8:30 AM
Franciscan A (Hilton)
Description:
Beyond standard hardware: GPUs, cloud computing and crowdsourcing

Sponsor:
Computational Molecular Science and Engineering Forum

Chair:
Peter T. Cummings
Email: peter.cummings@vanderbilt.edu

Co-chairs:
Seung Soon Jang
Email: SeungSoon.Jang@mse.gatech.edu

Frank T. Willmore
Email: willmore@tacc.utexas.edu

- indicates paper has an Extended Abstract file available on CD.


8:30 AM
(591a) Massively Parallel Monte Carlo for Many-Particle Simulations On GPUs
Joshua A. Anderson, Eric Jankowski, Thomas Grubb, Michael Engel and Sharon C. Glotzer

8:55 AM
(591b) Wefold: A Collaborative Protein Structure Prediction Experiment
George A. Khoury, Adam Liwo, Firas Khatib, Hongyi Zhou, Gaurav Chopra, Jaume Bacardit, Leandro O. Bortot, Rodrigo A. Faccioli, Xin Deng, Yi He, Pawel Krupa, Jilong Li, Magdalena Mozolewska, Adam Sieradzan, James Smadbeck, Tomasz Wirecki, Seth Cooper, Jeff Flatten, Kefan Xu, David Baker, Jianlin Cheng, Alexandre C. B. Delbem, Christodoulos A. Floudas, Chen Keasar, Michael Levitt, Zoran Popovic, Harold A. Scheraga, Jeffrey Skolnick and Silvia N. Crivelli

9:45 AM
(591d) Advancing Molecular Dynamics Models for Future Computers: A Case Study of Truncated Electrostatics
Trung Dac Nguyen, Jan-Michael Y. Carillo, Andrey Dobrynin and W. Michael Brown

10:10 AM
(591e) Calculation of Virial Coefficients On Graphics Processors
Andrew J. Schultz, Nathaniel S. Barlow, Chao Feng, Vipin Chaudhary and David A. Kofke