Overview
Education/Academic qualification
Comp-Comp Sci, Doctorate Degree
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- 1 Similar Profiles
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A terminology for scientific workflow systems
Suter, F., Coleman, T., Altintaş, İ., Badia, R. M., Balis, B., Chard, K., Colonnelli, I., Deelman, E., Di Tommaso, P., Fahringer, T., Goble, C., Jha, S., Katz, D. S., Köster, J., Leser, U., Mehta, K., Oliver, H., Peterson, J. L., Pizzi, G. & Pottier, L. & 6 others, , Jan 2026, In: Future Generation Computer Systems. 174, 107974.Research output: Contribution to journal › Review article › peer-review
Open Access9 Scopus citations -
Determining Levels of Detail for Simulators of Parallel and Distributed Computing Systems via Automated Calibration
McDonald, J., Wong, Y. C., Mehta, K., Suter, F., Da Silva, R. F., Pottier, L., Deelman, E. & Casanova, H., 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. 1452-1463 12 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
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Enabling Command-and-Control in Advanced in Situ Workflows
Mehta, K., Suchyta, E., Suter, F., Gainaru, A., Podhorszki, N. & Klasky, S., Dec 20 2025, 54th International Conference on Parallel Processing, ICPP 2025 - Workshops Proceedings. Association for Computing Machinery, Inc, p. 175-182 8 p. (54th International Conference on Parallel Processing, ICPP 2025 - Workshops Proceedings).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › 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 Access5 Scopus citations -
Automated Calibration of a Simulator of MPI Application Executions
Wong, Y. C., Suter, F., Mehta, K., Casanova, H. & Mcdonald, J., 2024, Proceedings - 2024 IEEE 20th International Conference on e-Science, e-Science 2024. Institute of Electrical and Electronics Engineers Inc., (Proceedings - 2024 IEEE 20th International Conference on e-Science, e-Science 2024).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Datasets
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ORNL_AISD-Ex: Quantum chemical prediction of UV/Vis absorption spectra for over 10 million organic molecules
Lupo Pasini, M. (Creator), Mehta, K. (Creator), Yoo, P. (Creator) & Irle, S. (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 12 2023
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), 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
Dataset
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GDB-9-Ex: Quantum chemical prediction of UV/Vis absorption spectra for GDB-9 molecules
Lupo Pasini, M. (Creator), Yoo, P. (Creator), Mehta, K. (Creator) & Irle, S. (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 22 2022
Dataset