We are catalyst designers

Computational catalysis and machine learning guided catalytic materials design and discovery for sustainable energy applications.

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SELECTED PUBLICATIONS

Nat. Rev. Methods Primers 2022

ACS Energy Lett. 2020

Curr. Opin. Chem. Eng. 2019

ACS Catal. 2018

Nat. Comm. 2021

Nat. Catal. 2021

Energy Environ. Sci. 2022

ACS Nano 2022

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RECENT NEWS

2025.06 Keishana’s paper titled “Analysis of Tin Oxide Supported Transition Metal Single-Atom Catalysts for Oxygen Evolution Reaction” just accepted for publication on Journal of Materials Chemistry A journal.
2025.03 Keishana received the prestigious Kokes Award to attend the 29th North American Catalysis Society meeting (NAM29) in Atlanta, GA, June 8 - 13, 2025.
2025.02 Arnold’s paper titled “Insights into Segregation and Aggregation in Dilute Atom Alloy Catalysts Using DFT and Machine Learning” just published in the Catalysis Talents special issue in ChemCatChem journal.
2024.06 Keishana received the Kircher scholarship from the department which includes $1000.
2024.05 Kasun received the highly competitive 2024 ORAU Ralph E. Powe Junior Faculty Enhancement Award from Oak Ridge Associated Universities.
2024.05 Keishana received the 'Oustanding Teaching Assistant' award for the academic year 23-24.

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