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Computational Catalysis for Clean Energy (ComCat) Laboratory

Welcome to ComCat Lab 
Led by Prof. Samira Siahrostami

University of Calgary

Recent News

Dr. Siahrostami is the 2023 Tom Ziegler Award recipient.

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Dr. Siahrostami was recognized as one of the Women Scientists at the Forefront of Energy Research in 2023 by the ACS Energy Letters.


Dr. Siahrostami visited the group of Dr. Ifan Stephens at Imperial College London.


Dr. Siahrostami gave a Plenary Talk at International Conference on Energy Conversion and Storage 2023 at IIT Madras

Recent Publications

H2O2 electrosynthesis and emerging applications, challenges, and opportunities: A computational perspective

Chem. Catal., 2023

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Unravelling catalytic activity trends in ceria surfaces toward the oxygen reduction and water oxidation reactions

React. Chem. Eng., 2023


High-performance zinc–air batteries enabled by hybridizing atomically dispersed FeN2 with Co3O4 nanoparticles

J. Mater. Chem. A, 2023

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A Molecular Insight into the Dehydration of a Metal– Organic Framework and its Impact on the CO2 Capture

Chem. Eur. J., 2023

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