Mary P. Thomas, Ph.D.
Computational & Data Science Researcher and HPC Training Lead

The San Diego Supercomputer Center 
9500 Gilman Drive, Bldg 109  
La Jolla CA 92093-0505
Voice:    +1-858-256-3244
Fax: +1-619-534-5117
Email: mpthomas at

Mary works at the San Diego Supercomputer Center in the Data-Enabled Scientific Computing Division, where she is the HPC/CI Advanced Computing Training Lead, and is responsible for developing and organizing educational and training materials to support the work of scientists running computational problems on HPC systems, including the SDSC Expanse and Voyager systems. Her research is focussed on computational science, parallel programming, advanced computational environments that support high-end scientific applications, and workforce development of the community of people who need to use HPC/CI resources. Thomas is PI or Co-PI of three NSF CyberTraining grants that focus on: developing cyberinfrastructure professionals who will facilitate researchers to access and use NSF CI resources and services (#2230127, PI); teach researchers best practices for developing scalable AI/ML applications (#2017767, PI); and developing taxonomies for a federated training materials repository (#2320977, Co-PI).

Mary works with graduate and undergraduate students through the SDSC HPC Students program. Her support and mentoring includes: mentoring interns in parallel computing on the Expanse cluster; developing advanced web technologies for the SDSC Advanced Computing Training program; and advising the IEEE Supercomputing Club,where she has sponsored several teams to participate in the annual Student Cluster Competitions at the annual Supercomputing conference. For more information, see

For information about HPC Students Internships, and current openings, see:

Mary is also a Research Faculty member at the Computational Sciences Research Center and the Department of Computer Science at San Diego State University. See for more information on her SDSU activities.

Current projects include:

Currently funded research projects:

Past funded research projects:

Recent publications:

  • S. Mehringer, M. P. Thomas, K. Cahill, D. Joiner, R. Knepper, and J. H. Powell, Scaling HPC Education, in Tenth SC Workshop on Best Practices for HPC Training and Education BPHTE23, 2023, pp. 1 to 6.
  • M. P. Thomas, A. W. Goetz, M. C. Kandes, and R. S. Sinkovits, Developing a Best Practices Training Program in Cyberinfrastructure-Enabled Machine Learning Research, PEARC 2023 Conf. Ser. Pract. Exp. Adv. Res. Comput., pp. 390 to 394, 2023.
  • S. Mehringer, K. Cahill, S. Lathrop, C. Dey, M. Thomas, and J. H. Powell, Assessing Shared Material Usage in the High Performance Computing (HPC) Education and Training Community, in Sixth Workshop on Strategies for Enhancing HPC Education and Training (SEHET23), 2023.
  • I. Barker, M. K. Chimeh, K. Gott, T. Papatheodore, and M. P. Thomas, Approaching Exascale : Best Practices for Training a Diverse Workforce using Hackathons, in Best Practices for HPC Traning and Education (BPHTE22), 2022.
  • A. Govind, Y. Jing, Matthew Mikhailov, M. P. Thomas, et. al., SCC22 Reproducibility Challenge : Productivity , Portability , Performance : Data-Centric Python, Accepted, IEEE Trans. Parallel Distrib. Syst., 2023.

For a list of other/selected publications, check here.


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