Large-Scale Computations in Chemistry: A Bird’s Eye View of a Vibrant Field

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTLarge-Scale Computations in Chemistry: A Bird's Eye View of a Vibrant FieldAlexey V. Akimov and Oleg V. Prezhdo*View Author Information Department of Chemistry, University of South California, Los Angeles, California 90089, United States*E-mail: email protected Cite this: Chem. Rev. 2015, 115, 12, 5797–5890Publication Date (Web):April 8, 2015Publication History Received18 September 2014Published online8 April 2015Published inissue 24 June 2015https://pubs.acs.org/doi/10.1021/cr500524chttps://doi.org/10.1021/cr500524creview-articleACS PublicationsCopyright © 2015 American Chemical SocietyRequest reuse permissionsArticle Views6069Altmetric-Citations179LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Approximation,Electrical properties,Energy,Hamiltonians,Molecular mechanics Get e-Alerts