#                                                     David S  Sholl                                            

###                         Director, Transformational Decarbonization Initiative                    

## Contact

shollds@ornl.gov|865.341.1734

## Bio

David Sholl joined ORNL in July 2021 to lead the lab's Transformational Decarbonization Initiative. From 2013-2021 David was the School Chair of Chemical & Biomolecular Engineering at Georgia Tech. He is a Fellow of AIChE and AAAS. 

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.

## Awards

1. Fellow, American Association for the Advancement of Science (2020)2. Fellow, American Institute of Chemical Engineering (2019)3. Institute Award for Excellence in Industrial Gases Technology, American Institute of Chemical Engineering (2018)4. “Highly Prolific Author” recognition, Journal of Physical Chemistry C (2017)5. AIChE Gary Leach Award (2015)6. Early Career Achievement Award, Computational Molecular Science and Engineering Forum, AIChE (2010)7. DOE Hydrogen Program R&D Award (2008)8. Camille Dreyfus Teacher-Scholar Award (2002)9. Alfred P. Sloan fellow (2001-2003)10. George Tallman Ladd Award for Excellence in Research, Carnegie Institute of Technology, Carnegie Mellon University (2000)11. University Medal, Australian National University (1991).

## Publications

##   Machine Learning Models for Predicting Molecular Diffusion in Metal–Organic Frameworks Accounting for the Impact of Framework Flexibility

November, 2023

##   Structural and Adsorption Properties of ZIF-8-7 Hybrid Materials Synthesized by Acid Gas-Assisted and De Novo Routes

November, 2023

##   Computational Screening of Cationic Zeolites for n-Butane/Methane Separations Using Quantitatively Accurate First-Principles-...

November, 2023

##   Quantum Chemical Simulations of CO2 and N2 Capture in Reline, a Prototypical Deep Eutectic Solvent...

October, 2023

##   Does Mixed Linker-Induced Surface Heterogeneity Impact the Accuracy of IAST Predictions in UiO-66-NH 2?

October, 2023

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## Key Links

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