105 citations · 163 across the 6 of their papers we have counts for
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Towards Accurate Mixed Quantum Classical Simulations of Vibrational Polaritonic Chemistry
Muhammad R. Hasyim, Arkajit Mandal, David R. Reichman
Interest in vibrational polaritonic chemistry, where ground-state chemical kinetics are modified via confined optical modes in a cavity, has surged in recent years. Although models…
Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
Dipti Jasrasaria, Arkajit Mandal, David R. Reichman +1
In this work we investigate anharmonic vibrational polaritons formed due to strong light-matter interactions in an optical cavity between radiation modes and anharmonic vibrations…
Quasi-Diabatic Propagation Scheme for Simulating Polariton Chemistry
Deping Hu, Arkajit Mandal, Braden M. Weight +1
We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are th…
Resolution of Gauge Ambiguities in Molecular Cavity Quantum Electrodynamics
Michael A. D. Taylor, Arkajit Mandal, Wanghuai Zhou +1
This work provides the fundamental theoretical framework for the molecular cavity Quantum Electrodynamics by resolving the gauge ambiguities between the Coulomb gauge and the dipol…
Polarized Fock States for Polariton Photochemistry
Arkajit Mandal, Sebastian Montillo Vega, Pengfei Huo
We use the polarized Fock states to describe the coupled molecule-cavity hybrid system in quantum electrodynamics. The molecular permanent dipoles polarize the photon field by disp…