Parallelization of a density functional program for monte-Carlo simulation of large molecules

DOI10.1007/3-540-44942-6_19MaRDI QIDQ4472360zbMATH OpenFDO

Authors Jorge M. Pacheco, José Luis R. F. Martins

Publication date 4 August 2004

Published in Lecture Notes in Computer Science (Search for Journal in Brave)

Full work available at URL http://link.springer.de/link/service/series/0558/bibs/1981/19810230.htm

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Functional programming and lambda calculus (68N18) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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• Application of parallel computing in the transfer-matrix simulations of the supramolecules Mn\(_{6}\) and Ni\(_{12}\)

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