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Utilizing high performance computing for chemistry: parallel computational chemistry
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2010 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 12, no 26, 6896-6920 p.Article in journal (Refereed) Published
Abstract [en]

Parallel hardware has become readily available to the computational chemistry research community. This perspective will review the current state of parallel computational chemistry software utilizing high-performance parallel computing platforms. Hardware and software trends and their effect on quantum chemistry methodologies, algorithms, and software development will also be discussed.

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2010. Vol. 12, no 26, 6896-6920 p.
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Chemical Sciences Physical Sciences
URN: urn:nbn:se:uu:diva-130252DOI: 10.1039/c002859bISI: 000279098300001PubMedID: 20532308OAI: oai:DiVA.org:uu-130252DiVA: diva2:349149
Available from: 2010-09-06 Created: 2010-09-06 Last updated: 2015-01-08Bibliographically approved

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