Jacob M. Clary

National Renewable Energy Laboratory — United States

Materials Science · Physical Sciences

9h-index509citations36works4.52yr avg
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Research Topics

Machine Learning in Materials Science(12), Electrocatalysts for Energy Conversion(5), Fuel Cells and Related Materials(4), Inorganic Chemistry and Materials(4), X-ray Diffraction in Crystallography(4)

Publications36 total

Δ-Learning of High-Fidelity Electronic Structure Using Graph Neural Networks with Modified Node-Level Features
ACS Materials Letters·2025
Impact of processing humidity on ionomer film structure and performance in hydroxide exchange membrane electrolyzers
Communications Materials·2025Open Access
<i>(Invited)</i> Modeling Catalytic Complexity in 2D-Materials: Applied Potential, Spectator Species, and Structural Defects
ECS Meeting Abstracts·2025
Development and application of $Δ$-machine-learned interatomic potentials to platinum-Nafion interfaces
arXiv (Cornell University)·2025Open Access
Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Atomate2: Modular workflows for materials science
2025· 8 citedOpen Access
Correction to “Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance”
Journal of Chemical Theory and Computation·2025
Atomate2: modular workflows for materials science
Digital Discovery·2025· 19 citedOpen Access
Correction: Atomate2: modular workflows for materials science
Digital Discovery·2025Open Access
Effect of stoichiometry and hydration level on water domain size and transport in poly(aryl piperidinium) alkaline anion-exchange membranes
Journal of Membrane Science·2024· 8 citedOpen Access
BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
The Journal of Physical Chemistry C·2024· 12 citedOpen Access
Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance
Journal of Chemical Theory and Computation·2024· 5 cited
(Invited) Activating Nitrogen for Electrochemical Ammonia Synthesis: Modeling the Effects of Electrified Interfaces on π-Backbonding Molecules
ECS Meeting Abstracts·2024
Destabilization of Oxygen Reduction Reaction Intermediates on a PGM-Free Electrocatalyst By Axial Spectator Ligands
ECS Meeting Abstracts·2024
Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry
2024· 2 citedOpen Access
BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
arXiv (Cornell University)·2024· 1 citedOpen Access
Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance
arXiv (Cornell University)·2024Open Access
Insights into Electrochemical CO<sub>2</sub> Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy
ACS Catalysis·2024· 19 citedOpen Access
Activating Nitrogen for Electrochemical Ammonia Synthesis via an Electrified Transition-Metal Dichalcogenide Catalyst
The Journal of Physical Chemistry C·2024· 9 citedOpen Access
Accurate Prediction of HSE06 Band Structures for a Diverse Set of Materials Using Δ-Learning
Chemistry of Materials·2023· 26 citedOpen Access
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Frequent Co-authors

Derek Vigil‐Fowler(29), Ravishankar Sundararaman(16), Charles B. Musgrave(11), Mauro Del Ben(9), Christopher Sutton(7), Cooper Tezak(6), Taylor J. Aubry(6), Aaron M. Holder(5), Sophie Gerits(5), Daniel Weinberg(5), Olivia Hull(5), Christopher J. Bartel(4), Benjamin Rich(4), Bryan R. Goldsmith(3), Alex M. Ganose(3), Hrushikesh Sahasrabuddhe(3), Mark Asta(3), Kévin Beck(3), Tathagata Biswas(3), Alexander Bonkowski(3)