65 citations · 489 across the 28 of their papers we have counts for
28 papers
Vibrational strong coupling influences product selectivity in a model for post transition state bifurcation reactions
Subhadip Mondal, Atul Kumar, Srihari Keshavamurthy
In this study we explore the possibility of modulating product selectivity (branching ratios) in post transition state bifurcation (PTSB) reactions via vibrational strong coupling…
Dissociation dynamics of a diatomic molecule in an optical cavity
Subhadip Mondal, Derek S. Wang, Srihari Keshavamurthy
We study the dissociation dynamics of a diatomic molecule, modeled as a Morse oscillator, coupled to an optical cavity. In both classical and quantum dynamics simulations, a marked…
Influence of low frequency modes on dynamical concertedness in double proton transfer dynamics
Priyanka Pandey, Shibabrat Naik, Srihari Keshavamurthy
We analyze the classical phase space dynamics of a three degree of freedom Hamiltonian that models multiple bond breaking and forming reactions. The model Hamiltonian, inspired fro…
Arnold web and dynamical tunneling in a four-site Bose-Hubbard model
Sourav Karmakar, Srihari Keshavamurthy
We present the quantum and classical study of a four-well trapped Bose-Einstein condensate (BEC) modeled by the Bose-Hubbard Hamiltonian. The model used is fashioned as a minimal b…
Classical and quantum dynamical manifestations of index-2 saddles: concerted versus sequential reaction mechanisms
Priyanka Pandey, Shibabrat Naik, Srihari Keshavamurthy
The presence of higher index saddles on a multidimensional potential energy surface is usually assumed to be of little significance in chemical reaction dynamics. Such a viewpoint…
Intramolecular vibrational energy redistribution and the quantum ergodicity transition: a phase space perspective
Sourav Karmakar, Srihari Keshavamurthy
Intramolecular vibrational energy redistribution (IVR) impacts the dynamics of reactions in a profound way. Theoretical and experimental studies are increasingly indicating that ac…