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Alistair P. Rendell

Ames National Laboratory

38H-index
150Paper Count
6.8KCitation Count
Published Papers 23
Publication Date
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The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-04
err29
errOAAI
errZahariev, Federico; Xu, Peng; Westheimer, Bryce M.; Webb, Simon; Galvez Vallejo, Jorge; Tiwari, Ananta; Sundriyal, Vaibhav; Sosonkina, Masha; Shen, Jun; Schoendorff, George; Schlinsog, Megan; Sattasathuchana, Tosaporn; Ruedenberg, Klaus; Roskop, Luke B.; Rendell, Alistair P.; Poole, David; Piecuch, Piotr; Pham, Buu Q.; Mironov, Vladimir; Mato, Joani; Leonard, Sam; Leang, Sarom S.; Ivanic, Joe; Hayes, Jackson; Harville, Taylor; Gururangan, Karthik; Guidez, Emilie; Gerasimov, Igor S.; Friedl, Christian; Ferreras, Katherine N.; Elliott, George; Datta, Dipayan; Cruz, Daniel Del Angel; Carrington, Laura; Bertoni, Colleen; Barca, Giuseppe M. J.; Alkan, Melisa; Gordon, Mark S.
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Toward an extreme-scale electronic structure system
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-27
err17
PREAI
errVallejo, Jorge L. Galvez; Snowdon, Calum; Stocks, Ryan; Kazemian, Fazeleh; Yu, Fiona Chuo Yan; Seidl, Christopher; Seeger, Zoe; Alkan, Melisa; Poole, David; Westheimer, Bryce M.; Basha, Mehaboob; De La Pierre, Marco; Rendell, Alistair; Izgorodina, Ekaterina I.; Gordon, Mark S.; Barca, Giuseppe M. J.
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Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-15
err37
PREAI
errBarca, Giuseppe M. J.; Alkan, Melisa; Galvez-Vallejo, Jorge L.; Poole, David L.; Rendell, Alistair P.; Gordon, Mark S.
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High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-18
err35
PREAI
errBarca, Giuseppe M. J.; Galvez-Vallejo, Jorge L.; Poole, David L.; Rendell, Alistair P.; Gordon, Mark S.
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Recent developments in the general atomic and molecular electronic structure system
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-16
err997
errOAAI
errBarca, Giuseppe M. J.; Bertoni, Colleen; Carrington, Laura; Datta, Dipayan; De Silva, Nuwan; Deustua, J. Emiliano; Fedorov, Dmitri G.; Gour, Jeffrey R.; Gunina, Anastasia O.; Guidez, Emilie; Harville, Taylor; Irle, Stephan; Ivanic, Joe; Kowalski, Karol; Leang, Sarom S.; Li, Hui; Li, Wei; Lutz, Jesse J.; Magoulas, Ilias; Mato, Joani; Mironov, Vladimir; Nakata, Hiroya; Pham, Buu Q.; Piecuch, Piotr; Poole, David; Pruitt, Spencer R.; Rendell, Alistair P.; Roskop, Luke B.; Ruedenberg, Klaus; Sattasathuchana, Tosaporn; Schmidt, Michael W.; Shen, Jun; Slipchenko, Lyudmila; Sosonkina, Masha; Sundriyal, Vaibhav; Tiwari, Ananta; Vallejo, Jorge L. Galvez; Westheimer, Bryce; Wloch, Marta; Xu, Peng; Zahariev, Federico; Gordon, Mark S.
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Embedded Accelerators for Scientific High-Performance Computing: an Energy Study of OpenCL Gaussian Elimination Workloads
err2017 46TH INTERNATIONAL CONFERENCE ON PARALLEL PROCESSING WORKSHOPS (ICPPW)
IF0
err2017-08-01
err3
PREAI
errJohnston, Beau; Lee, Brian; Angove, Luke; Rendell, Alistair
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Energy-Efficient Computational Chemistry: Comparison of x86 and ARM Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-10-09
err16
errOAAI
errKeipert, Kristopher; Mitra, Gaurav; Sunriyal, Vaibhav; Leang, Sarom S.; Sosonkina, Masha; Rendell, Alistair P.; Gordon, Mark S.
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Programming the Adapteva Epiphany 64-core network-on-chip coprocessor
errINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF2.5
err2015-08-27
err3
errOAAI
errVarghese, Anish; Edwards, Bob; Mitra, Gaurav; Rendell, Alistair P.
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Full-wave nonlinear ultrasound simulation on distributed clusters with applications in high-intensity focused ultrasound
errINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF2.5
err2015-04-29
err45
errOAAI
errJaros, Jiri; Rendell, Alistair P.; Treeby, Bradley E.
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Resolutions of the Coulomb Operator: VIII. Parallel Implementation Using the Modern Programming Language X10
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2014-09-11
err0
PREAI
errLimpanuparb, Taweetham; Milthorpe, Josh; Rendell, Alistair P.
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Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon Phi
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-02-24
err31
errOAAI
errLeang, Sarom S.; Rendell, Alistair P.; Gordon, Mark S.
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First principles study of gallium-cleaning for hydrogen-contaminated α-Al2O3(0001) surfaces
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-02-05
err2
PREAI
errYang, Rui; Rendell, Alistair P.
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errSave
Resolutions of the Coulomb Operator: VII. Evaluation of Long-Range Coulomb and Exchange Matrices
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-01-16
err5
errOAAI
errLimpanuparb, Taweetham; Milthorpe, Josh; Rendell, Alistair P.; Gill, Peter M. W.
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errSave
Silicon Carbide Nanotube as a Chloride-Selective Channel
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2012-02-14
err28
PREAI
errHilder, Tamsyn A.; Yang, Rui; Gordon, Dan; Rendell, Alistair P.; Chung, Shin-Ho
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First-Principles Study of Water Confined in Single-Walled Silicon Carbide Nanotubes
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2011-08-15
err26
PREAI
errYang, Rui; Hilder, Tamsyn A.; Chung, Shin-Ho; Rendell, Alistair
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Placing Rigorous Bounds on Numerical Errors in Hartree-Fock Energy Computations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2011-05-13
err6
PREAI
errJanes, Pete P.; Rendell, Alistair P.
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Automatically generated Coulomb fitting basis sets: Design and accuracy for systems containing H to Kr
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-08-15
err36
errOAAI
errYang, Rui; Rendell, Alistair P.; Frisch, Michael J.
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Ga cleaning of Al2O3 substrate:: Low coverage adsorption of Ga on a hydrogen-contaminated α-Al2O3(0001) surface
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2007-02-02
err4
PREAI
errYang, Rui; Rendell, Alistair P.
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Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2003-08-08
err22
errOAAI
errReimers, JR; Shapley, WA; Rendell, AP; Hush, NS
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Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2002-08-13
err28
PREAI
errTitmuss, SJ; Cummins, PL; Rendell, AP; Bliznyuk, AA; Gready, JE
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Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michael J. Frisch
H-index: 98 · Papers: 354
M
Mark S. Gordon
H-index: 90 · Papers: 734
P
Piotr Piecuch
H-index: 68 · Papers: 287
S
Stephan Irle
H-index: 68 · Papers: 434
N
Noel S. Hush
H-index: 68 · Papers: 399
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