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  1. scholar.google.com › citations‪David Sherrill‬ - ‪Google Scholar‬

    David Sherrill. Regents' Professor, Chemistry and Computational Science, Georgia Tech. Verified email at gatech.edu - Homepage. physical chemistry theoretical chemistry computational chemistry...

  2. orcid.org › 0000/0002/5570-7666CD Sherrill (0000-0002-5570-7666) - ORCID

    CD Sherrill Georgia Institute of Technology: Atlanta, GA, US 2005-07-01 to 2008-06-30 | Associate Professor (School of Chemistry and Biochemistry)

  3. vergil.chemistry.gatech.edu › sherrill-cvC. David Sherrill Regents’ Professor School of Chemistry and ...

    C. David Sherrill Regents’ Professor School of Chemistry and Biochemistry School of Computational Science and Engineering Georgia Institute of Technology . I. Earned Degrees . Ph.D. Chemistry, University of Georgia, 1996 B.S. Chemistry, Massachusetts Institute of Technology, 1992. II. Employment History . titu. e of Technology, .

  4. vergil.chemistry.gatech.edu › cgi-bin › pubsThe Sherrill Group: Publications - gatech.edu

    28 de jun. de 2024 · The Sherrill Group: Publications. Search the Sherrill Group. Perspectives, Review Articles, and Book Chapters. `` Chemical Physics Software ,'' C. D. Sherrill, D. E. Manolopoulos, T. J. Martinez, M. Ceriotti, and A. Michaelides, J. Chem. Phys.155, 010401 (2021). (doi: 10.1063/5.0059886 )

  5. wires.onlinelibrary.wiley.com › doi › absWavefunction methods for noncovalent interactions

    15 de jul. de 2011 · Noncovalent interactions remain poorly understood despite their importance to supramolecular chemistry, biochemistry, and materials science. They are an ideal target for theoretical study, where interactions of interest can be probed directly, free from competing secondary interactions.

  6. www.sciencedirect.com › science › articleThe Configuration Interaction Method: Advances in Highly...

    1 de ene. de 1999 · Highly correlated configuration interaction (CI) wavefunctions going beyond the simple singles and doubles (CISD) model space can provide very reliable potential energy surfaces, describe electronic excited states, and yield benchmark energies and molecular properties for use in calibrating more approximate methods.

  7. scholar.google.com › citations‪Edward Valeev‬ - ‪Google Scholar‬

    Improving on the resolution of the identity in linear R12 ab initio theories. EF Valeev. Chemical physics letters 395 (4-6), 190-195. , 2004. 429. 2004. A new near-linear scaling, efficient and...