592 search results - page 9 / 119 » Large Scale Simulation of Parallel Molecular Dynamics |
ICPP
2006
IEEE
14 years 1 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...
ESCIENCE
2006
IEEE
14 years 1 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...
BMCBI
2010
13 years 8 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 ...
CPHYSICS
2008
13 years 8 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...
MMAS
2011
Springer
13 years 2 months 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...