Start | Grid View | Browse by Day OR Group/Topical | Author Index | Keyword Index | Personal Scheduler

Beyond Standard Hardware: GPUs, Cloud Computing and Crowdsourcing

Monday, October 17, 2011: 12:30 PM
Duluth (Hilton Minneapolis)

Description:
Computational resources not associated with standard clusters of CPUs are becoming influential in many areas of computational modeling. These resources include, but are not limited to, GPUs, cloud computing, and crowdsourced computing. Papers are sought describing experiences using resources of this kind to tackle materials modeling and engineering modeling problems.


Sponsor:
Computational Molecular Science and Engineering Forum


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

Co-chairs:
Frank T. Willmore
Email: willmore@tacc.utexas.edu

Seung Soon Jang
Email: SeungSoon.Jang@mse.gatech.edu

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



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 and Sotiris E. Pratsinis


1:02 PM
(72c) Simulation of Nano-Confined Fluids and Colloids Using GPUs
Christopher R. Iacovella and Peter T. Cummings


1:18 PM
(72d) GPU Accelerated Monte Carlo Simulations In the Gibbs and Canonical Ensembles
Jason R. Mick, Jeffrey J. Potoff, Eyad Hailat, Vincent Russo and Loren Schwiebert


1:34 PM
(72e) HOOMD-Blue, General-Purpose Many-Body Dynamics On the GPU
Joshua A. Anderson, Carolyn L. Phillips, Trung D. Nguyen and Sharon C. Glotzer


1:50 PM
Welcoming Remarks

File available
1:53 PM
(72a) GPGPU Vs Free Volume: Using Graphics Hardware to Define, Characterize, and Visualize Negative Space In Polymers
Frank T. Willmore, David S. Simmons and Jack Douglas


2:09 PM
(72g) Statistical Learning Theory for Protein Dynamics
Kevin R. Haas and Jhih-Wei Chu


2:25 PM
(72h) GPU-Based Acceleration In Linear Algebra, Bioinformatics, and Risk Analysis
Panagiotis Vouzis and Nick Sahinidis

File available
2:41 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, Xiaowei Wang, Wenlai Huang, Ying Ren, Yongshen Han and Jinghai Li


2:57 PM
Concluding Remarks
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
<< Previous Session | Next Session >>