David M. Rogers is a Computational Scientist in the Advanced Computing for Chemistry and Materials at ORNL’s National Center for Computational Science. He obtained his Ph.D. in Physical Chemistry from University of Cincinnati in 2009 where he worked on applying Bayes’ theorem to the free energy problem with applications to the statistical mechanics of liquids. After a Post-doctoral fellowship at Sandia National Labs 2009-2012, he was a faculty member of the USF Department of Chemistry 2013-2019. He has worked on theory and application of statistical mechanical methods in liquids, biomolecules, and quantum models.

His current research interests include computation, mathematics, and theory enabling HPC methods for electron- to fluid-scale modeling. Especially interesting open problems include applications to small nonequilibrium systems, dielectric friction, dispersion, hydration, and its role in nanoscale devices. David’s focus at ORNL is developing more powerful and general libraries and interfaces for modeling these systems at scale.


University of Cincinnati
Physical Chemistry
Doctor of Philosophy (Ph.D.)

R&D Activities Contributions

Exascale Computing Project – Interoperable Design of Extreme-scale Application Software (IDEAS) - The IDEAS Project is intent on improving scientific productivity by qualitatively changing scientific software developer productivity, enabling a fundamentally different attitude to creating and supporting…

Center for Accelerated Application Readiness (CAAR) - In preparation for next-generation supercomputer Summit, the Oak Ridge Leadership Computing Facility (OLCF) selected 13 partnership projects into its Center for Accelerated Application Readiness (CAAR)…


2023 — ACM Gordon Bell Prize: Large-Scale Materials Modeling at Quantum Accuracy

2020 — Finalist: ACM Gordon Bell Special Prize for HPC–Based COVID-19 Research

2020 — Honorable Mention, 2020 Better Scientific Software Fellowship

2018 — Founding Member of Eta of Florida Phi Beta Kappa Chapter

2016 — Top Reviewer Award, J. Chemical Physics

2011 — R&D100 Award, Biomimetic Membranes for Water Purification

2009 — Hans H. Jaffé Award for Outstanding Scholarship in Physical Chemistry

2006 — DOE Computational Science Graduate Fellowship (CSGF)

2004 — Biochemistry Award, UC Department of Chemistry

2004 — Phi Beta Kappa


For a list of publications, see David Rogers' Staff Profile or personal website.