Research Output per Year
Research Output per Year
Overview
Personal Profile
Jacob Clary joined NREL in May 2020 as a postdoctoral researcher in the Complex Systems Simulation and Optimization group in the Computational Science Center. His research focuses on using both density functional theory (DFT) and many-body “beyond-DFT” methods to predict materials thermochemical and optoelectronic properties and catalyst activity. He currently works on modeling electrocatalysts for the oxygen reduction reaction and CO2 reduction along with materials modeling using quantum computing.
Research Interests
Density functional theory
High-fidelity many-body “beyond-DFT” methods (GW/RPA/BSE)
Solid-state property prediction
Surface chemistry modeling
Data analytics
High-performance computing
Education/Academic Qualification
Bachelor, Chemical Engineering, Auburn University
PhD, Chemical Engineering, University of Colorado Boulder
Master, Chemical Engineering, University of Colorado Boulder
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Collaborations and Top Research Areas From the Past 5 Years
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Research Output
- 12 Article
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Effect of Stoichiometry and Hydration Level on Water Domain Size and Transport in Poly(Aryl Piperidinium) Alkaline Anion-Exchange Membranes: Article No. 123517
Clary, J., Wang, L., Yan, Y., Frischknecht, A. & Vigil-Fowler, D., 2025, In: Journal of Membrane Science. 717, 9 p.Research output: Contribution to journal › Article › peer-review
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Activating Nitrogen for Electrochemical Ammonia Synthesis via an Electrified Transition-Metal Dichalcogenide Catalyst
Aubry, T., Clary, J., Miller, E., Vigil-Fowler, D. & van de Lagemaat, J., 2024, In: Journal of Physical Chemistry C. 128, 17, p. 7063-7072 10 p.Research output: Contribution to journal › Article › peer-review
1 Scopus Citations -
BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
Tezak, C., Clary, J., Gerits, S., Quinton, J., Rich, B., Singstock, N., Alherz, A., Aubry, T., Clark, S., Hurst, R., Del Ben, M., Sutton, C., Sundararaman, R., Musgrave, C. & Vigil-Fowler, D., 2024, In: Journal of Physical Chemistry C. 128, 47, p. 20165-20176 12 p.Research output: Contribution to journal › Article › peer-review
1 Scopus Citations -
Insights Into Electrochemical CO2 Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In-Situ ATR-SEIRA Spectroscopy
Whittaker, T., Fishler, Y., Clary, J., Brimley, P., Holewinski, A., Musgrave, C., Farberow, C., Smith, W. & Vigil-Fowler, D., 2024, In: ACS Catalysis. 14, 11, p. 8353-8365 13 p.Research output: Contribution to journal › Article › peer-review
4 Scopus Citations -
Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance
Weinberg, D., Hull, O., Clary, J., Sundararaman, R., Vigil-Fowler, D. & Del Ben, M., 2024, In: Journal of Chemical Theory and Computation. 20, 18, p. 8237-8246 10 p.Research output: Contribution to journal › Article › peer-review
Awards and Honors
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National Science Foundation Graduate Research Fellowship
Clary, J. (Recipient) & McNeary, W. (Recipient), 2014
Prize: Honorary award