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dc.contributor.authorDeep, K.-
dc.contributor.authorArya M.-
dc.identifier.citationProceedings of Communications in Computer and Information Science, (2010), 131- 140. Noida-
dc.identifier.isbn3642148336; 9783642148330-
dc.description.abstractMinimizing the Lennard-Jones potential, the most studied molecular conformation problem, is an unconstrained global optimization problem. Finding the global minimum of this function is very difficult because of the presence of a large number of local minima, which grows exponentially with molecule size. Attempts have been made to solve this problem using several optimization algorithms. In this paper a newly developed parallel particle swarm optimization (PPSO) algorithm is applied to solve this problem. Computational results for a cluster containing 10 atoms are obtained. The results obtained by PPSO show a significant performance in terms of speed-up without compromising the accuracy when compared to those obtained by sequential PSO. To the best of our knowledge this is the first attempt to solve Lennard-Jones 10 atoms problem using a PPSO. © 2010 Springer-Verlag Berlin Heidelberg.-
dc.relation.ispartofProceedings of Communications in Computer and Information Science-
dc.subjectLennard-Jones potential-
dc.subjectParallel Computing-
dc.subjectParallel Particle swarm optimization-
dc.subjectComputational results-
dc.subjectGlobal minima-
dc.subjectGlobal optimization problems-
dc.subjectLennard jones-
dc.subjectLennard-Jones potential-
dc.subjectLocal minimums-
dc.subjectMolecular conformation-
dc.subjectMolecule sizes-
dc.subjectOptimization algorithms-
dc.subjectParallel Computing-
dc.subjectParallel particle swarm optimization-
dc.subjectGlobal optimization-
dc.subjectParallel architectures-
dc.subjectProblem solving-
dc.subjectParticle swarm optimization (PSO)-
dc.titleMinimization of Lennard-Jones potential using parallel particle swarm optimization algorithm-
dc.typeConference Paper-
dc.affiliationDeep, K., Department of Mathematics, Indian Institute of Technology Roorkee, 247667 Uttarakhand, India-
dc.affiliationArya, M., Department of Mathematics, Indian Institute of Technology Roorkee, 247667 Uttarakhand, India-
dc.description.correspondingauthorDeep, K.; Department of Mathematics, Indian Institute of Technology Roorkee, 247667 Uttarakhand, India; email:
dc.identifier.conferencedetails3rd International Conference on Contemporary Computing, IC3 2010, Noida, 9-11 August 2010-
Appears in Collections:Conference Publications [MA]

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