911勛圖

Our Research / What We Do

Our group is active in Computational Catalyst Materials 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 for a range of electrochemical reactions (Figure below). Our advanced computational tools allow us to identify the Catalyst Genome, i.e., the metrics that define a nanocatalyst's functional properties at the atomic scale.

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Latest Publications

1.             Nwosu, U.; Siahrostami, S.^��� Adv. Sci. 2026 e22176. (Invited)
2.        Cox, C.P.; Wilsey, M.K.; Watson, K.R.; Taseska, T.; Sun, Y.; Schultz, L.R.; Siahrostami, S.^���; Mu��ller, A.M^��� . ACS Catalysis 2026, 16, 7376-7394.
3.       Wang, L.; Lo��pez-Estrada, O.; Lu, S.; Du, C.; Soni, A.; Wang, X.; Wang, M.; Wang, H.; Singh, Z.; Tirado, A.; Billinghurst, B.; Wei, W.; Zhang, B.; Chen, Z.; Wang, J.; Zhou, J.; Sun, C.; Zhou, H.; Smith, R.; Kendall, B.; Sinton, D.; Siahrostami, S.^���; Wu, Y. A.��� . ACS Catalysis 2026 (In Press).
4.       Ali, F.S.; Lucchetti, L.E.B.; Hammouali, M. A.; Rautama, E.; Sainio, J.; Jiang, H.; Moumaneix, L.; Kallio, A.; Sorsa, O.; Huotari, S.; Singh, R. K.; Dekel, D. R.; Siahrostami, S.; Kallio, T.^��� . Carbon 2026, 250, 121313.

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