John R Kitchin

13PUBLICATIONS
66CO-AUTHORS
Computational chemistryCatalysis and mechanisms of reactionsMathematical aspects of classical mechanics, quantum mechanics and quantum information theoryAutomated software engineeringChemical and thermal processes in energy and combustion
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Publications (13)

|Apr 23, 2026
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry.

|Oct 01, 2025
How Electrolyte pH Affects the Oxygen Reduction Reaction.

Jay T Bender, Rohan Yuri Sanspeur, Nicolas Bueno Ponce

|Jul 01, 2025
Spin-informed universal graph neural networks for simulating magnetic ordering.

Wenbin Xu, Rohan Yuri Sanspeur, Adeesh Kolluru

|Apr 24, 2025
Science acceleration and accessibility with self-driving labs.

Richard B Canty, Jeffrey A Bennett, Keith A Brown

|Feb 26, 2025
Accessing Numerical Energy Hessians with Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis.

Brook Wander, Joseph Musielewicz, Raffaele Cheula

|Aug 28, 2024
Structure Sensitive Reaction Kinetics of Chiral Molecules on Intrinsically Chiral Surfaces.

Kareem Abdelmaqsoud, Michael Radetic, Carlos Fernández-Cabán

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Frequent Collaborators

4 joint publications

Rohan Yuri Sanspeur

3 joint publications

Zachary W Ulissi

2 joint publications

Andrew J Gellman

2 joint publications

Javier Heras-Domingo