Sholl’s research focuses on materials whose macroscopic dynamic and thermodynamic properties are strongly influenced by their atomic-scale structure. Much of this research involves applying computational techniques such as molecular dynamics, Monte Carlo simulations and quantum chemistry methods to materials of interest. Although the group's work is centered on computational methods, it involves extensive collaboration with experimental groups and industrial partners.

David Sholl is the Executive Director and Vice Provost for the University of Tennessee-Oak Ridge Innovation Institute (UT-ORII). More information about UT-ORII is available at utorii.com. David also leads ORNL’s Transformational Decarbonization Initiative. From 2013-2021 David was the School Chair of Chemical & Biomolecular Engineering at Georgia Tech. In 2022-2023, he was a Portfolio Strategy Advisor for DOE’s Office of Clean Energy Demonstrations (OCED), where he was the lead author OCED’s inaugural multiyear program plan. He is a Fellow of AIChE and AAAS and in 2024 was elected to the National Academy of Engineering. 

Dr. Sholl has published hundreds of peer-reviewed articles and several books, including Density Functional Theory: A Practical Introduction (with Jan Steckel, 2009) and Success and Creativity in Scientific Research: Amaze Your Friends and Surprise Yourself (2021). His research has primarily focused on using materials modeling methods to develop new materials and processes for chemical separations and energy applications. He has advised over 80 PhD students and postdoctoral researchers.

View Sholl’s ORNL bio here.

Education

B.Sc. 1992, The Australian National UniversityM.Sc. 1993, University of ColoradoPh.D. 1995, University of Colorado