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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)

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|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

1 joint publications

Janghoon Ock

1 joint publications

Tian Tian

1 joint publications

Chloe Brown

1 joint publications

Colette Bilynsky

1 joint publications

Melanie Gainey

1 joint publications

Laura Gagliardi

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

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