David Sherrill

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	All	Since 2016
Citations	26067	11970
h-index	75	51
i10-index	179	137

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Co-authors

Edward G. HohensteinSLAC National Accelerator LaboratoryVerified email at slac.stanford.edu
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaVerified email at uga.edu
Robert Michael ParrishChemistry Simulations, QC Ware CorporationVerified email at qcware.com
Mutasem SinnokrotKhalifa UniversityVerified email at ku.ac.ae
Edward ValeevVirginia TechVerified email at vt.edu
Michael MarshallGeorgia Institute of TechnologyVerified email at gatech.edu
T. Daniel CrawfordProfessor of Chemistry, Virginia TechVerified email at vt.edu
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyVerified email at cchem.berkeley.edu
Anna KrylovProfessor of Chemistry, University of Southern CaliforniaVerified email at usc.edu
Justin TurneySenior Research Scientist, CCQC, University of GeorgiaVerified email at uga.edu
Todd J MartinezStanford UniversityVerified email at stanford.edu
Francesco EvangelistaAssociate Professor, Emory UniversityVerified email at emory.edu
Andrew SimmonettResearch Fellow, National Institutes of HealthVerified email at nih.gov
Bobby G. SumpterOak Ridge National LaboratoryVerified email at ornl.gov
Jean-Luc BredasThe University of ArizonaVerified email at email.arizona.edu
Edward F C ByrdVerified email at mail.mil
A. Eugene DePrince IIIFlorida State UniversityVerified email at chem.fsu.edu
Berhane TemelsoGeorge Mason UniversityVerified email at gmu.edu
Kenneth M. Merz Jr.Joseph Zichis Chair in Chemistry, Michigan State UniversityVerified email at msu.edu
Uğur BozkayaProfessor of Chemistry, Hacettepe UniversityVerified email at hacettepe.edu.tr

David Sherrill

Professor of Chemistry, Professor of Comput. Sci. and Engineering, Georgia Institute of Technology

Verified email at gatech.edu - Homepage

physical chemistry theoretical chemistry computational chemistry algorithms


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Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006	2583	2006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	1918	2015
Estimates of the ab initio limit for π− π interactions: The benzene dimer MO Sinnokrot, EF Valeev, CD Sherrill Journal of the American Chemical Society 124 (36), 10887-10893, 2002	1319	2002
Psi4: an open‐source ab initio electronic structure program JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012	773	2012
High-accuracy quantum mechanical studies of π− π interactions in benzene dimers MO Sinnokrot, CD Sherrill The Journal of Physical Chemistry A 110 (37), 10656-10668, 2006	754	2006
Highly accurate coupled cluster potential energy curves for the benzene dimer: sandwich, T-shaped, and parallel-displaced configurations MO Sinnokrot, CD Sherrill The Journal of Physical Chemistry A 108 (46), 10200-10207, 2004	694	2004
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ... Journal of chemical theory and computation 13 (7), 3185-3197, 2017	668	2017
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ... Journal of Computational Chemistry 21 (16), 1532-1548, 2000	654	2000
Substituent effects in π− π interactions: sandwich and T-shaped configurations MO Sinnokrot, CD Sherrill Journal of the American Chemical Society 126 (24), 7690-7697, 2004	631	2004
Assessment of the performance of the M05− 2X and M06− 2X exchange-correlation functionals for noncovalent interactions in biomolecules EG Hohenstein, ST Chill, CD Sherrill Journal of Chemical Theory and Computation 4 (12), 1996-2000, 2008	578	2008
Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals LA Burns, ÁV Mayagoitia, BG Sumpter, CD Sherrill The Journal of Chemical Physics 134 (8), 084107, 2011	559	2011
The configuration interaction method: Advances in highly correlated approaches CD Sherrill, HF Schaefer III Advances in quantum chemistry 34, 143-269, 1999	487	1999
An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the … CD Sherrill, T Takatani, EG Hohenstein The Journal of Physical Chemistry A 113 (38), 10146-10159, 2009	388	2009
Assessment of the performance of DFT and DFT-D methods for describing distance dependence of hydrogen-bonded interactions KS Thanthiriwatte, EG Hohenstein, LA Burns, CD Sherrill Journal of Chemical Theory and Computation 7 (1), 88-96, 2011	375	2011
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies TM Parker, LA Burns, RM Parrish, AG Ryno, CD Sherrill The Journal of chemical physics 140 (9), 094106, 2014	339	2014
Basis set consistent revision of the S22 test set of noncovalent interaction energies T Takatani, EG Hohenstein, M Malagoli, MS Marshall, CD Sherrill The Journal of chemical physics 132 (14), 144104, 2010	333	2010
Unexpected substituent effects in face-to-face π-stacking interactions MO Sinnokrot, CD Sherrill The Journal of Physical Chemistry A 107 (41), 8377-8379, 2003	318	2003
PSI3: An open‐source Ab Initio electronic structure package TD Crawford, CD Sherrill, EF Valeev, JT Fermann, RA King, ML Leininger, ... Journal of computational chemistry 28 (9), 1610-1616, 2007	303	2007
Wavefunction methods for noncovalent interactions EG Hohenstein, CD Sherrill Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 304-326, 2012	302	2012
Effects of heteroatoms on aromatic π− π interactions: benzene− pyridine and pyridine dimer EG Hohenstein, CD Sherrill The Journal of Physical Chemistry A 113 (5), 878-886, 2009	285	2009

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