Our group is active in the area of catalysis for application in clean energy technologies including fuel cells, electrolyzers and batteries, which will all be important components of a sustainable energy economy. The overall objective of our research program is to use computational framework to gain atomic scale understanding of the frontiers of existing catalyst materials toward reactions of importance for clean energy processes and ultimately designing more efficient catalysts for energy conversion and chemical production.


Chang, Q.; Zhang, P.; Mostaghimi, A.B.H.; Zhao, X.; Denny, S.R.; Lee, J.H.; Gao, H.; Zhang, Y.; Xin, H.*; Siahrostami, S.*; Chen, J.G.*; Chen, Z.* "Promoting H2O2 Production via 2-electron Oxygen Reduction in Acidic Electrolyte by Coordinating Partially Oxidized Pd with Defect Carbon" Nat. Commun. 2020, 11, 2178. [DOI]

Bagherzadeh Mostaghimi, A. H.; Al-Attas, T. A.; Kibria, M. G.; Siahrostami, S.* A Review on Electrocatalytic Oxidation of Methane to Oxygenates. J. Mater. Chem. A 2020, 8, 15575–15590. [DOI]

Siahrostami, S.*; Jimenez Villegas, S.; Mostaghimi, A. H. B.; Back, S.; Barati Farimani, A.; Wang, H.; Persson, K.A.; Montoya, J.H. “A Review on Challenges and Successes in Atomic-Scale Design of Catalysts for Electrochemical Synthesis of Hydrogen Peroxide” ACS Catal. 2020, 10, 14, 7495–7511. [DOI]

We are hiring!

PDF position is available for candidates with DFT/ML background .

Please email Dr. Siahrostami a brief cover letter indicating your research experience and areas of interest, along with a single PDF file that includes your CV and publications.

Cichocka, M.; Liang, Z.; Feng, D.; Back, S.; Siahrostami, S.; Wang, X.; Samperisi, L.; Sun, Y.; Xu, H.; Hedin, N.; Zheng, H.; Zou, X.; Zhou, H.C.; Huang, Z.* A Porphyrinic Zirconium Metal-Organic Framework for Oxygen Reduction Reaction: Tailoring the Spacing between Active-Sites through Chain-Based Inorganic Building Units, J. Am. Chem. Soc. 2020, 142,15386–15395. [DOI]