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Jeff Hammond
Jeff Hammond
NVIDIA
Verified email at acm.org - Homepage
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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
838*2007
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), 184102, 2020
3182020
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
3052013
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
1872014
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
1402014
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
1302010
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
1282013
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
1092006
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
1032011
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
1022009
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
992016
Parallel computation of coupled-cluster hyperpolarizabilities
JR Hammond, K Kowalski
The Journal of chemical physics 130 (19), 194108, 2009
822009
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
80*2015
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
702010
Implementing OpenSHMEM using MPI-3 one-sided communication
JR Hammond, S Ghosh, BM Chapman
OpenSHMEM and Related Technologies. Experiences, Implementations, and Tools …, 2014
602014
Performance analysis of the lattice Boltzmann model beyond Navier-Stokes
AP Randles, V Kale, J Hammond, W Gropp, E Kaxiras
2013 IEEE 27th International Symposium on Parallel and Distributed …, 2013
602013
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
592012
Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory
JR Hammond, K Kowalski
The Journal of Chemical Physics 127 (14), 144105, 2007
582007
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
56*2015
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
562013
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