Scalable algorithms for molecular dynamics simulations on commodity clusters

Although molecular dynamics (MD) simulations of biomolecular systems often run for days to months, many events of great scientific interest and pharmaceutical relevance occur on long time scales that remain beyond reach. We present several new algorithms and implementation techniques that significan...

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Bibliographic Details
Published in:Conference on High Performance Networking and Computing: Proceedings of the 2006 ACM/IEEE conference on Supercomputing; 11-17 Nov. 2006 pp. 84 - es
Main Authors: Bowers, Kevin J., Chow, Edmond, Xu, Huafeng, Dror, Ron O., Eastwood, Michael P., Gregersen, Brent A., Klepeis, John L., Kolossvary, Istvan, Moraes, Mark A., Sacerdoti, Federico D., Salmon, John K., Shan, Yibing, Shaw, David E.
Format: Conference Proceeding
Language:English
Published: New York, NY, USA ACM 11.11.2006
Series:ACM Conferences
Subjects:
Computer systems organization > Architectures > Distributed architectures > Grid computing
Computer systems organization > Architectures > Parallel architectures > Multicore architectures
Computer systems organization > Architectures > Serial architectures > Superscalar architectures
Computing methodologies > Modeling and simulation > Simulation theory > Systems theory
Computing methodologies > Modeling and simulation > Simulation types and techniques > Massively parallel and high-performance simulations
Computing methodologies > Parallel computing methodologies > Parallel programming languages
Mathematics of computing > Mathematical analysis > Numerical analysis
Software and its engineering > Software notations and tools > General programming languages > Language types > Parallel programming languages
Software and its engineering > Software organization and properties > Software system structures > Distributed systems organizing principles > Grid computing
ISBN:0769527000, 9780769527000
Online Access:Get full text
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