Robert J. Harrison

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Thom DunningPacific Northwest National Laboratory & University of WashingtonEmail verificata su uw.edu
Gregory BeylkinProfessor of Applied Mathematics, University of Colorado at BoulderEmail verificata su colorado.edu
David DixonThe University of AlabamaEmail verificata su ua.edu
P SadayappanProfessor, Kahlert School of Computing, University of UtahEmail verificata su cs.utah.edu
Edoardo ApràPacific Northwest National LaboratoryEmail verificata su pnnl.gov
Marcel NooijenUniversity of WaterlooEmail verificata su uwaterloo.ca
Gerald BaumgartnerAssociate Professor of Computer Science, Louisiana State UniversityEmail verificata su csc.lsu.edu
J. "Ram" RamanujamLouisiana State University: Professor, ECE Div; Director CCT-Center for Comp. & Tech.Email verificata su lsu.edu
Ariana BesteJoint Institute for Computational Sciences, University of Tennessee; Center for Nanophase Materials Sciences, Oak Ridge NationalEmail verificata su ornl.gov
Deborah PenchoffInnovative Computing Laboratory, University of TennesseeEmail verificata su utk.edu
John NicholasBlade TherapeuticsEmail verificata su blademed.com
Herbert FruchtlUniversity of St andrewsEmail verificata su st-andrews.ac.uk
rodney bartlettgraduate research professor, university of floridEmail verificata su qtp.ufl.edu
Bert de JongLawrence Berkeley National LaboratoryEmail verificata su lbl.gov
Sriram KrishnamoorthyGoogleEmail verificata su google.com
Gregory D. PetersonUniversity of TennesseeEmail verificata su utk.edu
So HirataMarvin T. Schmidt Professor, University of Illinois at Urbana-ChampaignEmail verificata su illinois.edu
Edward ValeevVirginia TechEmail verificata su vt.edu
Sotiris S. XantheasLaboratory Fellow, PNNL / Chemistry, University of WashingtonEmail verificata su pnnl.gov
Eric BylaskaChemical Physics Theory Team, Pacific Northwest National LaboratoryEmail verificata su pnnl.gov

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Robert J. Harrison

Stony Brook University

Email verificata su stonybrook.edu - Home page

theoretical chemistry high-performance computing numerical methods


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions RA Kendall, TH Dunning Jr, RJ Harrison The Journal of chemical physics 96 (9), 6796-6806, 1992	15900	1992
Parallel Douglas–Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas–Kroll contracted basis sets WA De Jong, RJ Harrison, DA Dixon The Journal of Chemical Physics 114 (1), 48-53, 2001	1010	2001
The international exascale software project roadmap J Dongarra, P Beckman, T Moore, P Aerts, G Aloisio, JC Andre, D Barkai, ... The international journal of high performance computing applications 25 (1 …, 2011	949	2011
High performance computational chemistry: An overview of NWChem a distributed parallel application RA Kendall, E Aprà, DE Bernholdt, EJ Bylaska, M Dupuis, GI Fann, ... Computer Physics Communications 128 (1-2), 260-283, 2000	873	2000
NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020	625	2020
NWChem, A computational chemistry package for parallel computers, version 5.1 EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007	561	2007
MPI: A Message-Passing Interface Standard; June 12, 1995;[version 1.1] Message Passing Interface Forum University of Tennessee, 1995	556*	1995
Global arrays: A nonuniform memory access programming model for high-performance computers J Nieplocha, RJ Harrison, RJ Littlefield The Journal of Supercomputing 10, 169-189, 1996	480	1996
Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles SS Xantheas, CJ Burnham, RJ Harrison The Journal of chemical physics 116 (4), 1493-1499, 2002	457	2002
Global Arrays: A portable" shared-memory" programming model for distributed memory computers J Nieplocha, RJ Harrison, RJ Littlefield Supercomputing'94: Proceedings of the 1994 ACM/IEEE conference on …, 1994	341	1994
Multiresolution quantum chemistry: Basic theory and initial applications RJ Harrison, GI Fann, T Yanai, Z Gan, G Beylkin The Journal of chemical physics 121 (23), 11587-11598, 2004	321	2004
Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers DE Bernholdt, RJ Harrison Chemical Physics Letters 250 (5-6), 477-484, 1996	282	1996
Full ci calculations on bh, h2o, nh3, and hf RJ Harrison, NC Handy Chemical Physics Letters 95 (4-5), 386-391, 1983	264	1983
Synthesis of high-performance parallel programs for a class of ab initio quantum chemistry models G Baumgartner, A Auer, DE Bernholdt, A Bibireata, V Choppella, ... Proceedings of the IEEE 93 (2), 276-292, 2005	258	2005
NWCHEM, a computational chemistry package for parallel computers, Version 4.6 TP Straatsma, E Apra, TL Windus, EJ Bylaska, W de Jong, S Hirata, ... Pacific Northwest National Laboratory, Richland, Washington, 99352-0999, 2004	238	2004
Approximating full configuration interaction with selected configuration interaction and perturbation theory RJ Harrison The Journal of chemical physics 94 (7), 5021-5031, 1991	228	1991
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020	225	2020
Automatic code generation for many-body electronic structure methods: the tensor contraction engine AA Auer, G Baumgartner, DE Bernholdt, A Bibireata, V Choppella, ... Molecular Physics 104 (2), 211-228, 2006	174	2006
Exascale software study: Software challenges in extreme scale systems S Amarasinghe, D Campbell, W Carlson, A Chien, W Dally, E Elnohazy, ... DARPA IPTO, Air Force Research Labs, Tech. Rep, 1-153, 2009	152	2009
Isomers and excitation energies of C4 DH Magers, RJ Harrison, RJ Bartlett The Journal of chemical physics 84 (6), 3284-3290, 1986	149	1986

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