soumya.ghosh @ tifrh . res . in
  FReTB, PI-007
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Research Overview

The research focus of our lab is understanding solid-liquid interfaces. Specifically, we study electrochemical reactions at a solid-liquid interface and in solution under varied conditions. To realize our objectives, we apply multiscale modelling, which is a useful mathematical tool to understand systems with different features at multiple scales of time and space. We also use quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) approach to study catalytic reactions in aqueous solution. We recently identified two thermodynamically viable pathways for the critical O-O bond cleavage during O2 reduction by a mononuclear Cu-electrocatalyst; we are using the QM/MM MD approach to further characterize these pathways.