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Welcome to Siahrostami Lab

Computational Catalysis for Clean Energy


University of Calgary

Our group is active in the area of Computational Catalyst Material Design for applications in clean energy technologies such as fuel cells, electrolyzers and batteries. We design catalysts from first principles by modeling reactions in-silico. Our advanced computational tools allow us to identify Catalyst Genome, i.e., the metrics that define functional properties of a nanocatalyst at the atomic scale.

ACS Spring Meeting 2021

Dr. Siahrostami is giving an invited talk in “Complexity in Computational Catalysis” session at ACS Spring Meeting, April 5-30, 2021. The presentation is scheduled on April 14, 2021.

IUPAC/CCCE 2021, Chemistry for Energy

Dr. Siahrostami is organizing a symposium in “Computational Design of Materials and Systems for Energy Applications” at IUPAC/CCCE World Congress of Chemistry. The Conference will be fully virtual and is on August 13-20, 2021. Last chance for Abstract Submission.

Emerging Investigator

Journal of Materials Chemistry A

Dr. Siahrostami was nominated as one of the 2020 Emerging Investigators and awarded a publication in the Journal of Materials Chemistry A. The 2020 themed issues  gather some of the best research being conducted by scientists in the early stages of their independent career. Dr. Siahrostami was recommended as carrying out work with the potential to influence future directions in materials chemistry. The publication is focused on electrocatalytic oxidation of methane to oxygenates and can be found here.