About the Talk

Dissociation of H₂O on a metal surface is a rate-limiting step in many industrially important reactions. In a few recent experiments, it has been observed that dissociation of H₂O on a metal surface is mode-selective. In other words, this reaction is not statistical in nature and therefore, one cannot use transition state-based theories to get insights of this reaction. Our quantum dynamical calculations show that mode-mode coupling along the reaction path is the key factor in deciding the quantum of mode-selectivity in this reaction.

About the Speaker

Professor Ashwani Kumar Tiwari, currently Professor in the Department of Chemical Sciences at IISER Kolkata and serving since 2025 as Dean of Faculty Affairs (after being Dean of International Relations and Outreach from 2022–24), is a leading theorist in chemical reaction dynamics. He earned his PhD in Theoretical Chemistry from IIT Kanpur in 2007, followed by postdoctoral research at the Technical University of Denmark and the University of Massachusetts Amherst. His research group specialises in the quantum dynamics of gas phase and surface reactions—including laser controlled molecular fragmentation and vibrationally enhanced water dissociation on Cu and Ni surfaces—making important contributions to fields spanning atmospheric chemistry and industrial catalysis. A recipient of honors like the 2024 JSPS Invitational Fellowship, 2021 RSC Fellowship, and the 2019 CRSI Bronze Medal, Professor Tiwari has published extensively in top journals such as J. Chem. Phys., Phys. Rev. A, J. Phys. Chem. C, and Phys. Chem. Chem. Phys.