Projects per year
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Dive into the research topics where Advanced Computing for Chemistry and Mat is active. These topic labels come from the works of this organization's members. Together they form a unique fingerprint.
Researcher collaborations from the last five years
Based on publications and projects (not datasets). Dive into details by clicking on the dots or
Profiles
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Ana Or Ana Maria De Carvalho Vicente Da Cunha
- Advanced Computing for Chemistry and Mat - R&D Associate
Person
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High-Fidelity Numerical Simulations of Turbulent Combustion — Fundamental Science Towards Predictive Models
Smith, P. J. (CoPI), Chen, J. H. (PI), Sankaran, R. (CoPI), Hawkes, E. R. (CoPI), Yoo, C. S. (CoPI) & Lignell, D. D. (CoPI)
01/1/07 → …
Project: Research
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Predictive Simulations in Strongly Correlated Electron Systems and Functional Nanostructures
Cummings, P. P. (CoPI), Schulthess, T. C. (PI), Alverz, G. G. (CoPI), Dagotto, E. (CoPI), Eisenbach, M. (CoPI), Kent, P. (CoPI), Maier, T. (CoPI), Stocks, M. M. (CoPI), Bernholc, J. (CoPI), Jarrell, M. (CoPI) & Landman, U. U. (CoPI)
01/1/07 → …
Project: Research
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Impact of Stellar structure on Core-collapse Supernovae and their Ejecta
Lentz, E. J. (PI), Mezzacappa, A. (CoPI), Hix, W. R. (CoPI) & Messer II, B. (CoPI)
09/1/17 → 08/31/19
Project: Research
Research output
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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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Power-Capping Metric Evaluation for Improving Energy Efficiency in HPC Applications
Patrou, M., Wang, T., Elwasif, W., Eisenbach, M., Miller, R., Godoy, W. & Hernandez, O., 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. 231-244 14 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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Combined molecular and spin dynamics simulation of BCC iron with vacancy defects
Mudrick, M., Eisenbach, M., Perera, D. & Landau, D. P., Feb 7 2025, In: Journal of Chemical Physics. 162, 5, 054114.Research output: Contribution to journal › Article › peer-review
Open Access
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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CuAu binary alloy with 32 atoms - LSMS-3 data
Lupo Pasini, M. (Creator) & Eisenbach, M. (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), Feb 15 2021
Dataset
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NbTaV_BCC_SolidSolution_128atoms_VASP6
Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (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), Nov 30 2023
Dataset