Robert J. Harrison

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Thom DunningPacific Northwest National Laboratory & University of WashingtonE-mailová adresa ověřena na: uw.edu
Gregory BeylkinProfessor of Applied Mathematics, University of Colorado at BoulderE-mailová adresa ověřena na: colorado.edu
David DixonThe University of AlabamaE-mailová adresa ověřena na: ua.edu
P SadayappanProfessor, Kahlert School of Computing, University of UtahE-mailová adresa ověřena na: cs.utah.edu
Edoardo ApràPacific Northwest National LaboratoryE-mailová adresa ověřena na: pnnl.gov
Marcel NooijenUniversity of WaterlooE-mailová adresa ověřena na: uwaterloo.ca
Gerald BaumgartnerAssociate Professor of Computer Science, Louisiana State UniversityE-mailová adresa ověřena na: csc.lsu.edu
J. "Ram" RamanujamLouisiana State University: Professor, ECE Div; Director CCT-Center for Comp. & Tech.E-mailová adresa ověřena na: lsu.edu
Ariana BesteJoint Institute for Computational Sciences, University of Tennessee; Center for Nanophase Materials Sciences, Oak Ridge NationalE-mailová adresa ověřena na: ornl.gov
Deborah PenchoffInnovative Computing Laboratory, University of TennesseeE-mailová adresa ověřena na: utk.edu
John NicholasBlade TherapeuticsE-mailová adresa ověřena na: blademed.com
Herbert FruchtlUniversity of St andrewsE-mailová adresa ověřena na: st-andrews.ac.uk
rodney bartlettgraduate research professor, university of floridE-mailová adresa ověřena na: qtp.ufl.edu
Sriram KrishnamoorthyGoogleE-mailová adresa ověřena na: google.com
Bert de JongLawrence Berkeley National LaboratoryE-mailová adresa ověřena na: lbl.gov
Gregory D. PetersonUniversity of TennesseeE-mailová adresa ověřena na: utk.edu
So HirataMarvin T. Schmidt Professor, University of Illinois at Urbana-ChampaignE-mailová adresa ověřena na: illinois.edu
Edward ValeevVirginia TechE-mailová adresa ověřena na: vt.edu
Sotiris S. XantheasLaboratory Fellow, PNNL / Chemistry, University of WashingtonE-mailová adresa ověřena na: pnnl.gov
Eric BylaskaChemical Physics Theory Team, Pacific Northwest National LaboratoryE-mailová adresa ověřena na: pnnl.gov

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Robert J. Harrison

Stony Brook University

E-mailová adresa ověřena na: stonybrook.edu - Domovská stránka

theoretical chemistry high-performance computing numerical methods


Název Seřadit podle citací Seřadit podle roku Seřadit podle názvu	Citace Citace	Rok
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions RA Kendall, TH Dunning, RJ Harrison The Journal of chemical physics 96 (9), 6796-6806, 1992	15731	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	991	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	944	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	871	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	587	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	560	2007
MPI: A Message-Passing Interface Standard; June 12, 1995;[version 1.1] Message Passing Interface Forum University of Tennessee, 1995	555*	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	477	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	454	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	340	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	315	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	280	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	256	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	227	1991
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020	224	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	151	2009
Isomers and excitation energies of C4 DH Magers, RJ Harrison, RJ Bartlett The Journal of chemical physics 84 (6), 3284-3290, 1986	148	1986

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