David Rogers

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Research activity per year

Education/Academic qualification

Chem-Physical, Doctorate Degree

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Dive into the research topics where David Rogers is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

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39 Article
10 Conference contribution
6 Technical Report
4 Comment/debate
More
- 2 Conference article
- 1 Chapter

Enabling Seamless Transitions from Experimental to Production HPC for Interactive Workflows
Etz, B. D., Rogers, D. M., Brim, M. J., Maheshwari, K., Leland, K., Skluzacek, T. J., Lange, J., Pelfrey, D., Webb, J., Widener, P., Adamson, R., Zimmer, C., Melesse Vergara, V. G., Shankar, M., Oral, S. & da Silva, R. F., 2026, High Performance Computing - ISC High Performance 2025 International Workshops, Revised Selected Papers. Neuwirth, S., Paul, A. K., Weinzierl, T. & Carson, E. C. (eds.). Springer Science and Business Media Deutschland GmbH, p. 363-375 13 p. (Lecture Notes in Computer Science; vol. 16091 LNCS).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions
Puleva, M., Medrano Sandonas, L., Lőrincz, B. D., Charry, J., Rogers, D. M., Nagy, P. R. & Tkatchenko, A., Dec 2025, In: Nature Communications. 16, 1, 8583.
Research output: Contribution to journal › Article › peer-review

Open Access
4 Scopus citations
From Edge to HPC: Investigating Cross-Facility Data Streaming Architectures
George, A., Brim, M., Zimmer, C., Rogers, D., Oral, S. & Mayes, Z., Nov 15 2025, Proceedings of 2025 Workshops of the International Conference on High Performance Computing, Network, Storage, and Analysis, SC 2025 Workshops. Association for Computing Machinery, Inc, p. 949-959 11 p. (Proceedings of 2025 Workshops of the International Conference on High Performance Computing, Network, Storage, and Analysis, SC 2025 Workshops).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Open Access
Multi-level Monte Carlo methods in chemical applications with Lennard-Jones potentials and other landscapes with isolated singularities
Bocchinfuso, A., Rogers, D. M., Alves, C., Ramirez, J., Asthagiri, D. N., Beck, T. L. & Restrepo, J. M., Apr 2025, In: Computer Physics Communications. 309, 109477.
Research output: Contribution to journal › Article › peer-review

Open Access
OLCF’s Advanced Computing Ecosystem (ACE): FY25 Update for Ongoing Efforts
Etz, B., Oral, S., Ferreira Da Silva, R., Adamson, R., Alnajjar, A., Beck, T., Barker, A., Brim, M., Bryant, P., Engelmann, C., George, A., Herts, S., Jansen, G., Kalyanam, R., Karimi, A. M., Lange, J., Leland, K., Maheshwari, K., McDonnell, M. & Messer II, B. & 16 others, Miller, R., Pelfrey, D. S., Prentice, S., Radovanovic, B., Rogers, D., Rosendo, D., Ruckman, A. J., Shankar, M., Shehata, A., Skluzacek, T., Santos Souza, R., Melesse Vergara, V., Wang, F., Webb, J., Widener, P. & Zimmer, C., 2025, United States
Research output: Other contribution › Technical Report

SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 2 (Lowest Temperature Extracted Protein Coordinate Trajectories)
Smith, M. D. (Creator), Rogers, D. (Creator), Vermaas, J. (Creator) & Smith, J. C. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Jan 20 2021
DOI: 10.13139/OLCF/1657844
Dataset
HydraGNN_Predictive_GFM_2024 - Ensemble of predictive graph foundation models for ground state atomistic materials modeling
Lupo Pasini, M. (Creator), Choi, J. Y. (Creator), Mehta, K. (Creator), Zhang, P. (Creator), Rogers, D. (Creator), Bae, J. (Creator), Ibrahim, K. (Creator), Aji, A. (Creator), Schulz, K. W. (Creator), Polo, J. (Creator) & Balaprakash, P. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Nov 1 2024
DOI: 10.13139/OLCF/2474799
Dataset
TaZr_BCC_SolidSolution_128atoms_VASP6
Samolyuk, G. (Creator), Eisenbach, M. (Creator), Lupo Pasini, M. (Creator), Choi, J. Y. (Creator), Rogers, D. (Creator) & Yang, Y. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Oct 30 2024
DOI: 10.13139/OLCF/2466324
Dataset
HfTa_BCC_SolidSolution_128atoms_VASP6
Lupo Pasini, M. (Creator), Choi, J. Y. (Creator) & Rogers, D. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), 2025
DOI: 10.13139/ornlnccs/2583868
Dataset
SARS-CoV2 Docking Dataset
Rogers, D. (Creator), Glaser, J. (Creator), Agarwal, R. (Creator), Vermaas, J. (Creator), Smith, M. D. (Creator), Parks, J. (Creator), Cooper, C. J. (Creator), Sedova, A. (Creator), Boehm, S. (Creator), Baker, M. (Creator) & Smith, J. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), May 27 2021
DOI: 10.13139/OLCF/1783186
Dataset

David Rogers

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