Jeff Hammond
Jeff Hammond
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Verifierad e-postadress på acm.org - Startsida
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NWChem, A computational chemistry package for parallel computers
EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ...
Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007
791*2007
Elemental: A new framework for distributed memory dense matrix computations
J Poulson, B Marker, RA Van de Geijn, JR Hammond, NA Romero
ACM Transactions on Mathematical Software (TOMS) 39 (2), 1-24, 2013
2552013
A massively parallel tensor contraction framework for coupled-cluster computations
E Solomonik, D Matthews, JR Hammond, JF Stanton, J Demmel
Journal of Parallel and Distributed Computing 74 (12), 3176-3190, 2014
1132014
Computational studies of the thermochemistry for conversion of glucose to levulinic acid
RS Assary, PC Redfern, JR Hammond, J Greeley, LA Curtiss
The Journal of Physical Chemistry B, 2010
1082010
Anatomy of high-performance many-threaded matrix multiplication
TM Smith, R Van De Geijn, M Smelyanskiy, JR Hammond, FG Van Zee
2014 IEEE 28th International Parallel and Distributed Processing Symposium …, 2014
1022014
MPW1K performs much better than B3LYP in DFT calculations on reactions that proceed by proton-coupled electron transfer (PCET)
M Lingwood, JR Hammond, DA Hrovat, JM Mayer, WT Borden
Journal of chemical theory and computation 2 (3), 740-745, 2006
982006
Cyclops tensor framework: Reducing communication and eliminating load imbalance in massively parallel contractions
E Solomonik, D Matthews, J Hammond, J Demmel
2013 IEEE 27th International Symposium on Parallel and Distributed …, 2013
922013
Coupled cluster theory on graphics processing units I. The coupled cluster doubles method
AE DePrince III, JR Hammond
Journal of Chemical Theory and Computation 7 (5), 1287-1295, 2011
802011
Accurate dipole polarizabilities for water clusters n= 2–12 at the coupled-cluster level of theory and benchmarking of various density functionals
JR Hammond, N Govind, K Kowalski, J Autschbach, SS Xantheas
The Journal of Chemical Physics 131 (21), 214103, 2009
802009
Parallel computation of coupled-cluster hyperpolarizabilities
JR Hammond, K Kowalski
The Journal of chemical physics 130 (19), 194108, 2009
792009
Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer
K Kowalski, S Krishnamoorthy, O Villa, JR Hammond, N Govind
The Journal of chemical physics 132, 154103, 2010
642010
MADNESS: A multiresolution, adaptive numerical environment for scientific simulation
RJ Harrison, G Beylkin, FA Bischoff, JA Calvin, GI Fann, J Fosso-Tande, ...
SIAM Journal on Scientific Computing 38 (5), S123-S142, 2016
552016
memkind: An Extensible Heap Memory Manager for Heterogeneous Memory Platforms and Mixed Memory Policies.
C Cantalupo, V Venkatesan, J Hammond, K Czurlyo, SD Hammond
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2015
54*2015
Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory
JR Hammond, K Kowalski
The Journal of Chemical Physics 127 (14), 144105, 2007
542007
Supporting the Global Arrays PGAS model using MPI one-sided communication
J Dinan, P Balaji, JR Hammond, S Krishnamoorthy, V Tipparaju
Parallel & Distributed Processing Symposium (IPDPS), 2012 IEEE 26th …, 2012
492012
Implementing OpenSHMEM using MPI-3 one-sided communication
JR Hammond, S Ghosh, BM Chapman
OpenSHMEM and Related Technologies. Experiences, Implementations, and Tools …, 2014
472014
Coupled cluster calculations for static and dynamic polarizabilities of C60
K Kowalski, JR Hammond, WA De Jong, AJ Sadlej
The Journal of Chemical Physics 129 (22), 226101, 2008
472008
Variational two-electron reduced-density-matrix theory: Partial 3-positivity conditions for N-representability
JR Hammond, DA Mazziotti
Physical Review A 71 (6), 062503, 2005
462005
Reconsidering dispersion potentials: Reduced cutoffs in mesh-based Ewald solvers can be faster than truncation
RE Isele-Holder, W Mitchell, JR Hammond, A Kohlmeyer, AE Ismail
Journal of chemical theory and computation 9 (12), 5412-5420, 2013
452013
Casper: An Asynchronous Progress Model for MPI RMA on Many-Core Architectures
YI Min Si, Antonio J. Pena, Jeff Hammond, Pavan Balaji, Masamichi Takagi
Intl. Parallel and Distributed Processing Symp (IPDPS) 29, 2015
37*2015
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Artiklar 1–20