Samira Siahrostami

Associate Professor, Canada Research Chair in Modeling Electrochemical Reactions (Tier 2)

Areas of interest

Computational Catalysis, Physical and Theoretical Chemistry

Lab Information


Catalysis for Sustainable Energy

Our research is centered on digital and computational catalysis, specifically targeting its application in advancing clean energy technologies such as fuel cells, electrolyzers, and batteries — key components for establishing a sustainable energy economy. Catalysts play a pivotal role in enhancing the efficiency of chemical reactions integral to these technologies. However, the current lack of efficient catalysts poses a significant obstacle to their widespread economic viability.

We employ quantum mechanical calculations to delve into the fundamental mechanisms underlying these reactions at the atomic level. Our objective is to predict and fine-tune catalyst properties to optimize performance across various reactions crucial for clean energy conversion and transformation.

Our computational methodology facilitates efficient navigation through the vast chemical sapce of potential catalysts, allowing for the identification of novel materials with the desired electronic structures and catalytic properties necessary for advancing clean energy technologies.


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Future courses may be subject to change.


  • Tier 2 Canada Research Chair in Modeling Electrochemical Reactions - 2023
  • WIN Rising Star Award, Waterloo Institute for Nanotechnology (WIN) - 2023
  • Tom Zeigler Award, Canadian Society of Chemistry (CSC) - 2023
  • Highly Cited Researcher in Multidisciplinary Field of Science, Clarivate™ - 2023
  • Women at the Forefront of Energy Research, American Chemical Society (ACS) - 2022
  • Horizon Prize: John Jeyes Award, Royal Society of Chemistry (RSC) - 2021