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GPU-Enabled Macromolecular Simulation: Challenges and Opportunities
Jan.-Feb. 2013 (vol. 15 no. 1)
pp. 56-57
| ASCII Text | x | ||
| Michela Taufer, Narayan Ganesan, Sandeep Patel, "GPU-Enabled Macromolecular Simulation: Challenges and Opportunities," Computing in Science and Engineering, vol. 15, no. 1, pp. 56-57, Jan.-Feb., 2013. | |||
| BibTex | x | ||
| @article{ 10.1109/MCSE.2012.42, author = {Michela Taufer and Narayan Ganesan and Sandeep Patel}, title = {GPU-Enabled Macromolecular Simulation: Challenges and Opportunities}, journal ={Computing in Science and Engineering}, volume = {15}, number = {1}, issn = {1521-9615}, year = {2013}, pages = {56-57}, doi = {http://doi.ieeecomputersociety.org/10.1109/MCSE.2012.42}, publisher = {IEEE Computer Society}, address = {Los Alamitos, CA, USA}, } | |||
| RefWorks Procite/RefMan/Endnote | x | ||
| TY - MGZN JO - Computing in Science and Engineering TI - GPU-Enabled Macromolecular Simulation: Challenges and Opportunities IS - 1 SN - 1521-9615 SP56 EP57 EPD - 56-57 A1 - Michela Taufer, A1 - Narayan Ganesan, A1 - Sandeep Patel, PY - 2013 KW - Mathematical model KW - Biological system modeling KW - Computational modeling KW - Lattices KW - Graphics processing unit KW - Kernel KW - Adaptation models KW - scientific computing KW - GPU computing KW - molecular dynamics KW - biomacromolecular structure and function VL - 15 JA - Computing in Science and Engineering ER - | |||
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/MCSE.2012.42
GPU-enabled simulation of fully atomistic macromolecular systems is rapidly gaining momentum, enabled by massive parallelism and the parallelizability of various components of the underlying algorithms and methodologies. Here, we consider key aspects required for obtaining realistic macromolecular systems specifically adapted to GPUs; these aspects include realistic mathematical models and valid simulations.
Index Terms:
Mathematical model,Biological system modeling,Computational modeling,Lattices,Graphics processing unit,Kernel,Adaptation models,scientific computing,GPU computing,molecular dynamics,biomacromolecular structure and function
Citation:
Michela Taufer, Narayan Ganesan, Sandeep Patel, "GPU-Enabled Macromolecular Simulation: Challenges and Opportunities," Computing in Science and Engineering, vol. 15, no. 1, pp. 56-57, Jan.-Feb. 2013, doi:10.1109/MCSE.2012.42
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