Jeffrey M. Larkin

According to our database, Jeffrey M. Larkin authored at least 19 papers between 2007 and 2021.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2021

High-throughput virtual laboratory for drug discovery using massive datasets.

Jens Glaser, Josh Vincent Vermaas, David M. Rogers, Jeff Larkin, Scott LeGrand, Swen Boehm, Matthew B. Baker, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Ada Sedova, Oscar R. Hernandez

Int. J. High Perform. Comput. Appl., 2021

Supercomputing Pipelines Search for Therapeutics Against COVID-19.

Josh Vincent Vermaas, Ada Sedova, Matthew B. Baker, Swen Boehm, David M. Rogers, Jeff Larkin, Jens Glaser, Micholas Dean Smith, Oscar R. Hernandez, Jeremy C. Smith

Comput. Sci. Eng., 2021

2020

A Holistic Algorithmic Approach to Improving Accuracy, Robustness, and Computational Efficiency for Atmospheric Dynamics.

Matthew R. Norman, Jeffrey M. Larkin

SIAM J. Sci. Comput., 2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.

Atanu Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, Kendall G. Byler, Sam Yen-Chi Chen, Leighton Coates, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar R. Hernandez, Stephan Irle, Daniel W. Kneller, Andrey Kovalevsky, Jeffrey M. Larkin, Travis J. Lawrence, Scott LeGrand, Shih-Hsien Liu, Julie C. Mitchell, Gilchan Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, Line Pouchard, Arvind Ramanathan, David M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Yue Shen, Jeremy C. Smith, Micholas Dean Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh Vincent Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti Polzi

J. Chem. Inf. Model., 2020

Pre-exascale accelerated application development: The ORNL Summit experience.

Lixiang Luo, Tjerk P. Straatsma, Luis Enrique Aguilar-Suárez, Ria Broer, Dmytro Bykov, Eduardo F. D'Azevedo, Shirin S. Faraji, Kalyana C. Gottiparthi, Coen de Graaf, James Austin Harris, Remco W. A. Havenith, Hans Jørgen Aagard Jensen, Wayne Joubert, R. K. Kathir, Jeff Larkin, Ying Wai Li, Dmitry I. Lyakh, O. E. Bronson Messer, Matthew R. Norman, Joseph C. Oefelein, Ramanan Sankaran, Andreas F. Tillack, Ashleigh L. Barnes, Lucas Visscher, Jack C. Wells, Meilani Wibowo

IBM J. Res. Dev., 2020

A performance-portable nonhydrostatic atmospheric dycore for the energy exascale earth system model running at cloud-resolving resolutions.

Luca Bertagna, Oksana Guba, Mark A. Taylor, James G. Foucar, Jeff Larkin, Andrew M. Bradley, Sivasankaran Rajamanickam, Andrew G. Salinger

Proceedings of the International Conference for High Performance Computing, 2020

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research.

Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh Vincent Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, Oscar R. Hernandez, Jeremy C. Smith, Ada Sedova

Proceedings of the BCB '20: 11th ACM International Conference on Bioinformatics, 2020

2019

Performance of the RI-MP2 Fortran Kernel of GAMESS on GPUs via Directive-Based Offloading with Math Libraries.

JaeHyuk Kwack, Colleen Bertoni, Buu Pham, Jeff Larkin

Proceedings of the Accelerator Programming Using Directives - 6th International Workshop, 2019

2018

Power and Energy-efficiency Roofline Model for GPUs.

Millad Ghane, Jeff Larkin, Larry Shi, Sunita Chandrasekaran, Margaret S. Cheung

CoRR, 2018

2017

Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires.

Thomas Kjærgaard, Pablo Baudin, Dmytro Bykov, Janus Juul Eriksen, Patrick Ettenhuber, Kasper Kristensen, Jeff Larkin, Dmitry I. Lyakh, Filip Pawlowski, Aaron Vose, Yang Min Wang, Poul Jørgensen

Comput. Phys. Commun., 2017

GPU acceleration of the Locally Selfconsistent Multiple Scattering code for first principles calculation of the ground state and statistical physics of materials.

Markus Eisenbach, Jeff Larkin, Justin Lutjens, Steven C. Rennich, James H. Rogers

Comput. Phys. Commun., 2017

2015

A case study of CUDA FORTRAN and OpenACC for an atmospheric climate kernel.

Matthew R. Norman, Jeffrey M. Larkin, Aaron Vose, Katherine J. Evans

J. Comput. Sci., 2015

Accelerated application development: The ORNL Titan experience.

Wayne Joubert, Rick Archibald, Mark A. Berrill, W. Michael Brown, Markus Eisenbach, Ray W. Grout, Jeff Larkin, John M. Levesque, Bronson Messer, Matthew R. Norman, Bobby Philip, Ramanan Sankaran, Arnold N. Tharrington, John A. Turner

Comput. Electr. Eng., 2015

2013

Progress towards accelerating HOMME on hybrid multi-core systems.

Ilene Carpenter, Rick Archibald, Katherine J. Evans, Jeffrey M. Larkin, Paulius Micikevicius, Matthew R. Norman, James Rosinski, Jim Schwarzmeier, Mark A. Taylor

Int. J. High Perform. Comput. Appl., 2013

Physics-based seismic hazard analysis on petascale heterogeneous supercomputers.

Yifeng Cui, Efecan Poyraz, Kim B. Olsen, Jun Zhou, Kyle Withers, Scott Callaghan, Jeff Larkin, Clark C. Guest, Dong Ju Choi, Amit Chourasia, Zheqiang Shi, Steven M. Day, Philip Maechling, Thomas H. Jordan

Proceedings of the International Conference for High Performance Computing, 2013

2009

A scalable method for <i>ab initio</i> computation of free energies in nanoscale systems.

Markus Eisenbach, C.-G. Zhou, Donald M. C. Nicholson, G. Brown, Jeffrey M. Larkin, Thomas C. Schulthess

Proceedings of the ACM/IEEE Conference on High Performance Computing, 2009

2008

New algorithm to enable 400+ TFlop/s sustained performance in simulations of disorder effects in high-<i>T</i>_c superconductors.

Gonzalo Alvarez, Michael S. Summers, Don E. Maxwell, Markus Eisenbach, Jeremy S. Meredith, Jeffrey M. Larkin, John M. Levesque, Thomas A. Maier, Paul R. C. Kent, Eduardo F. D'Azevedo, Thomas C. Schulthess

Proceedings of the ACM/IEEE Conference on High Performance Computing, 2008

I/O performance on a massively parallel Cray XT3/XT4.

Mark R. Fahey, Jeffrey M. Larkin, Joylika Adams

Proceedings of the 22nd IEEE International Symposium on Parallel and Distributed Processing, 2008

2007

Cray XT4: an early evaluation for petascale scientific simulation.

Sadaf R. Alam, Jeffery A. Kuehn, Richard F. Barrett, Jeffrey M. Larkin, Mark R. Fahey, Ramanan Sankaran, Patrick H. Worley

Proceedings of the ACM/IEEE Conference on High Performance Networking and Computing, 2007