Publications per year
Publications per year
Overview
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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Researcher collaborations from the last five years
Based on publications and projects (not datasets). Dive into details by clicking on the dots or
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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
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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 Access1 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, , 2025, United StatesResearch output: Other contribution › Technical Report
Datasets
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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
Dataset
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SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 3 (Raw Temperature Replica Exchange Molecular Dynamics 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
Dataset
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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
Dataset
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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
Dataset
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SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 1 (Simulation Initial Conditions and Parameters)
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
Dataset