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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Multi-level Monte Carlo methods in chemical applications with Lennard-Jones potentials and other landscapes with isolated singularities
Bocchinfuso, A., Rogers, D. M., De Magalhaes Alves, C., Ramirez Osorio, 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 -
Scalable training of trustworthy and energy-efficient predictive graph foundation models for atomistic materials modeling: a case study with HydraGNN
Lupo Pasini, M., Choi, J. Y., Mehta, K., Zhang, P., Rogers, D., Bae, J., Ibrahim, K. Z., Aji, A. M., Schulz, K. W., Polo, J. & Balaprakash, P., Mar 2025, In: Journal of Supercomputing. 81, 4, 618.Research output: Contribution to journal › Article › peer-review
Open Access3 Scopus citations -
US Department of Energy, Office of Science, High-Performance Computing Facility 2024 Operational Assessment Oak Ridge Leadership Computing Facility
Miller, R., Moore, S., Morgan, J., Oral, S., Osborne, T., Parete-Koon, S., Peltz, P., Posada Correa, F., Prentice, S., Renaud, W., Robinson, T., Rogers, D., Rogers II, J., Sandoval, M., Shankar, M., Simmerman, S., Stahl, C., Suh, I.-S., Thach, K. G. & Tichenor, S. & 30 others, , 2025, United StatesResearch output: Other contribution › Technical Report
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A Cast of Thousands: How the IDEAS Productivity Project Has Advanced Software Productivity and Sustainability
McInnes, L. C., Heroux, M. A., Bernholdt, D. E., Dubey, A., Gonsiorowski, E., Gupta, R., Marques, O., Moulton, J. D., Nam, H. A., Norris, B., Raybourn, E. M., Willenbring, J., Almgren, A., Bartlett, R. A., Cranfill, K., Fickas, S., Frederick, D., Godoy, W. F., Grubel, P. A. & Hartman-Baker, R. & 14 others, , 2024, In: Computing in Science and Engineering. 26, 1, p. 48-60 13 p.Research output: Contribution to journal › Article › peer-review
Open Access3 Scopus citations -
A High-level Design for Bidirectional Data Streaming to High-Performance Computing Systems from External Science Facilities
Brim, M. J., George, A., Shehata, A., Lester, C., Rogers, D., Widener, P., Miller, R., Jansen, G., Ferreira Da Silva, R. & Oral, S., Mar 2024, 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), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Oct 30 2024
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), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jan 20 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), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jan 20 2021
Dataset
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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), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 1 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), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jan 20 2021
Dataset