• 1215 Citations
  • 18 h-Index
20012020

Research output per year

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Projects

Research Output

Deep generative model driven protein folding simulations

Ma, H., Bhowmik, D., Lee, H., Turilli, M., Young, M., Jha, S. & Ramanathan, A., Jan 1 2020, Parallel Computing: Technology Trends. Foster, I., Joubert, G. R., Kucera, L., Nagel, W. E. & Peters, F. (eds.). IOS Press BV, p. 45-55 11 p. (Advances in Parallel Computing; vol. 36).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

  • Parallel performance of molecular dynamics trajectory analysis

    Khoshlessan, M., Paraskevakos, I., Fox, G. C., Jha, S. & Beckstein, O., Jan 1 2020, (Accepted/In press) In : Concurrency Computation.

    Research output: Contribution to journalArticle

  • Characterizing the Performance of Executing Many-tasks on Summit

    Turilli, M., Merzky, A., Naughton, T., Elwasif, W. & Jha, S., Nov 2019, Proceedings of IPDRM 2019: 3rd Annual Workshop on Emerging Parallel and Distributed Runtime Systems and Middleware - Held in conjunction with SC 2019: The International Conference for High Performance Computing, Networking, Storage and Analysis. Institute of Electrical and Electronics Engineers Inc., p. 18-25 8 p. 8956483. (Proceedings of IPDRM 2019: 3rd Annual Workshop on Emerging Parallel and Distributed Runtime Systems and Middleware - Held in conjunction with SC 2019: The International Conference for High Performance Computing, Networking, Storage and Analysis).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  • CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space

    Shkurti, A., Styliari, I. D., Balasubramanian, V., Bethune, I., Pedebos, C., Jha, S. & Laughton, C. A., Apr 9 2019, In : Journal of Chemical Theory and Computation. 15, 4, p. 2587-2596 10 p.

    Research output: Contribution to journalArticle

  • 3 Scopus citations

    Computational reproducibility of scientific workflows at extreme scales

    Pouchard, L., Baldwin, S., Elsethagen, T., Jha, S., Raju, B., Stephan, E., Tang, L. & Van Dam, K. K., Sep 1 2019, In : International Journal of High Performance Computing Applications. 33, 5, p. 763-776 14 p.

    Research output: Contribution to journalArticle

  • 1 Scopus citations