Utilizing high performance computing for chemistry: parallel computational chemistry
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
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.
Place, publisher, year, edition, pages
2010. Vol. 12, no 26, 6896-6920 p.
Chemical Sciences Physical Sciences
IdentifiersURN: urn:nbn:se:uu:diva-130252DOI: 10.1039/c002859bISI: 000279098300001PubMedID: 20532308OAI: oai:DiVA.org:uu-130252DiVA: diva2:349149