Jeff Hammond
Jeff Hammond
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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
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
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
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
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
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
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
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
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
Parallel computation of coupled-cluster hyperpolarizabilities
JR Hammond, K Kowalski
The Journal of chemical physics 130 (19), 194108, 2009
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
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
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
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
Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory
JR Hammond, K Kowalski
The Journal of Chemical Physics 127 (14), 144105, 2007
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
Implementing OpenSHMEM using MPI-3 one-sided communication
JR Hammond, S Ghosh, BM Chapman
OpenSHMEM and Related Technologies. Experiences, Implementations, and Tools …, 2014
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
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
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
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