592 search results - page 9 / 119 » Large Scale Simulation of Parallel Molecular Dynamics |
153
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ICPP
2006
IEEE
15 years 12 months ago
2006
IEEE
— This paper presents Salsa, a novel, decentralized and asynchronous realization of the “replica exchange” algorithm for simulating the structure, function, folding, and dyna...
179
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ESCIENCE
2006
IEEE
15 years 12 months ago
2006
IEEE
— The ability to use a visualisation tool to steer large simulations provides innovative and novel usage scenarios, eg the ability to use new algorithms for the computation of fr...
190
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BMCBI
2010
15 years 6 months ago
2010
Background: RNA structure prediction problem is a computationally complex task, especially with pseudo-knots. The problem is well-studied in existing literature and predominantly ...
148
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CPHYSICS
2008
15 years 5 months ago
2008
A scalable parallel algorithm has been designed to study long-time dynamics of many-atom systems based on the nudged elastic band method, which performs mutually constrained molec...
209
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MMAS
2011
Springer
15 years 23 days ago
2011
Springer
While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and thei...