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Proceedings
2011 Annual Meeting
Computational Molecular Science and Engineering Forum
Beyond Standard Hardware: GPUs, Cloud Computing and Crowdsourcing
2011 Annual Meeting
Session: Beyond Standard Hardware: GPUs, Cloud Computing and Crowdsourcing
Chair
Peter Cummings
, Vanderbilt University
Presentations
12:30 PM
(72f) Large Scale Distributed Computing Calculations of Binding Free Energies Using Folding@Home and GPU Simulations of Proteins Using OpenMM
Michael R. Shirts
12:46 PM
(72b) Sintering Rate and Mechanism of TiO2 Nanoparticles by Molecular Dynamics Using GPUs
Beat Buesser, Arto J. Gröhn, Sotiris E. Pratsinis
01:02 PM
(72c) Simulation of Nano-Confined Fluids and Colloids Using GPUs
Peter T. Cummings
01:18 PM
(72d) GPU Accelerated Monte Carlo Simulations In the Gibbs and Canonical Ensembles
Jeffrey J. Potoff, Jason R. Mick, Eyad Hailat, Vincent Russo, Loren Schwiebert
01:34 PM
(72e) HOOMD-Blue, General-Purpose Many-Body Dynamics On the GPU
Trung D. Nguyen
01:50 PM
Welcoming Remarks
01:53 PM
(72a) GPGPU Vs Free Volume: Using Graphics Hardware to Define, Characterize, and Visualize Negative Space In Polymers
Frank T. Willmore, David S. Simmons, Jack Douglas
02:09 PM
(72g) Statistical Learning Theory for Protein Dynamics
02:25 PM
(72h) GPU-Based Acceleration In Linear Algebra, Bioinformatics, and Risk Analysis
02:41 PM
(72i) MD Simulations with Petaflops Sustainable Performance for Trans-Scale Study On Transport and Reaction Processes
Wei Ge, Chaofeng Hou, Ji Xu, Guofei Shen, Feiguo Chen, Wenlai Huang, Xiaowei Wang, Jinghai Li, Ying Ren, Yongshen Han
02:57 PM
Concluding Remarks