David M. Rogers

According to our database, David M. Rogers authored at least 19 papers between 2015 and 2024.

Collaborative distances:

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

2024

A Cast of Thousands: How the IDEAS Productivity Project Has Advanced Software Productivity and Sustainability.

Lois Curfman McInnes, Michael A. Heroux, David E. Bernholdt, Anshu Dubey, Elsa Gonsiorowski, Rinku Gupta, Osni Marques, J. David Moulton, Hai Ah Nam, Boyana Norris, Elaine M. Raybourn, James M. Willenbring, Ann S. Almgren, Roscoe A. Bartlett, Kita Cranfill, Stephen Fickas, Don Frederick, William F. Godoy, Patricia A. Grubel, Rebecca Hartman-Baker, Axel Huebl, Rose Lynch, Addi Malviya-Thakur, Reed Milewicz, Mark C. Miller, Miranda Mundt, Erik Palmer, Suzanne Parete-Koon, Megan Phinney, Katherine Riley, David M. Rogers, Benjamin H. Sims, Deborah Stevens, Gregory R. Watson

Comput. Sci. Eng., 2024

Scalable Training of Graph Foundation Models for Atomistic Materials Modeling: A Case Study with HydraGNN.

Massimiliano Lupo Pasini, Jong Youl Choi, Kshitij Mehta, Pei Zhang, David M. Rogers, Jonghyun Bae, Khaled Z. Ibrahim, Ashwin M. Aji, Karl W. Schulz, Jorda Polo, Prasanna Balaprakash

CoRR, 2024

2023

QuantumScents: Quantum-Mechanical Properties for 3.5k Olfactory Molecules.

Jackson W. Burns, David M. Rogers

J. Chem. Inf. Model., December, 2023

EZ: An efficient, charge conserving current deposition algorithm for electromagnetic particle-in-cell simulations.

Klaus Steiniger, René Widera, Sergey I. Bastrakov, Michael Bussmann, Sunita Chandrasekaran, Benjamín Hernández, Kristina Holsapple, Axel Huebl, Guido Juckeland, Jeffrey Kelling, Matt Leinhauser, Richard Pausch, David M. Rogers, Ulrich Schramm, Jeffrey Young, Alexander Debus

Comput. Phys. Commun., October, 2023

Three practical workflow schedulers for easy maximum parallelism.

David M. Rogers

Softw. Pract. Exp., 2023

A cast of thousands: How the IDEAS Productivity project has advanced software productivity and sustainability.

Lois Curfman McInnes, Michael A. Heroux, David E. Bernholdt, Anshu Dubey, Elsa Gonsiorowski, Rinku Gupta, Osni Marques, J. David Moulton, Hai Ah Nam, Boyana Norris, Elaine M. Raybourn, James M. Willenbring, Ann S. Almgren, Ross Bartlett, Kita Cranfill, Stephen Fickas, Don Frederick, William F. Godoy, Patricia Grubel, Rebecca Hartman-Baker, Axel Huebl, Rose Lynch, Addi Malviya-Thakur, Reed Milewicz, Mark C. Miller, Miranda Mundt, Erik Palmer, Suzanne Parete-Koon, Megan Phinney, Katherine Riley, David M. Rogers, Benjamin H. Sims, Deborah Stevens, Gregory R. Watson

CoRR, 2023

Ready for the Frontier: Preparing Applications for the World's First Exascale System.

Reuben D. Budiardja, Mark A. Berrill, Markus Eisenbach, Gustav R. Jansen, Wayne Joubert, Stephen Nichols, David M. Rogers, Arnold N. Tharrington, O. E. Bronson Messer

Proceedings of the High Performance Computing - 38th International Conference, 2023

Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys.

Sambit Das, Bikash Kanungo, Vishal Subramanian, Gourab Panigrahi, Phani Motamarri, David M. Rogers, Paul M. Zimmerman, Vikram Gavini

Proceedings of the International Conference for High Performance Computing, 2023

Frontier: Exploring Exascale.

Scott Atchley, Christopher Zimmer, John Lange, David E. Bernholdt, Verónica G. Melesse Vergara, Thomas Beck, Michael J. Brim, Reuben D. Budiardja, Sunita Chandrasekaran, Markus Eisenbach, Thomas M. Evans, Matthew Ezell, Nicholas Frontiere, Antigoni Georgiadou, Joe Glenski, Philipp Grete, Steven P. Hamilton, John K. Holmen, Axel Huebl, Daniel A. Jacobson, Wayne Joubert, Kim H. McMahon, Elia Merzari, Stan G. Moore, Andrew Myers, Stephen Nichols, Sarp Oral, Thomas Papatheodore, Danny Perez, David M. Rogers, Evan Schneider, Jean-Luc Vay, P. K. Yeung

Proceedings of the International Conference for High Performance Computing, 2023

Hardware-Agnostic Interactive Exascale In Situ Visualization of Particle-In-Cell Simulations.

Felix Meyer, Benjamín Hernández, Richard Pausch, René Widera, David Groß, Sergei I. Bastrakov, Axel Huebl, Guido Juckeland, Jeffrey Kelling, Matt Leinhauser, David M. Rogers, Ulrich Schramm, Klaus Steiniger, Stefan Gumhold, Jeff Young, Michael Bussmann, Sunita Chandrasekaran, Alexander Debus

Proceedings of the Platform for Advanced Scientific Computing Conference, 2023

2022

Research Software Engineering at Oak Ridge National Laboratory.

Addi Malviya-Thakur, David E. Bernholdt, William F. Godoy, Gregory R. Watson, Mathieu Doucet, Mark A. Coletti, David M. Rogers, Marshall T. McDonnell, Jay Jay Billings, Barney Maccabe

Comput. Sci. Eng., 2022

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization.

Sambit Das, Phani Motamarri, Vishal Subramanian, David M. Rogers, Vikram Gavini

Comput. Phys. Commun., 2022

Understanding Strong Scaling on GPUs Using Empirical Performance Saturation Size.

David Eberius, Philip C. Roth, David M. Rogers

Proceedings of the IEEE/ACM International Workshop on Performance, 2022

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

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

Protein Conformational States - A First Principles Bayesian Method.

David M. Rogers

Entropy, 2020

2016

Efficient Primitives for Standard Tensor Linear Algebra.

David M. Rogers

Proceedings of the XSEDE16 Conference on Diversity, 2016

2015

Towards a Direct, By-Need Evaluator for Dependently Typed Languages.

David M. Rogers

CoRR, 2015