Influence of vibrational strong coupling on intermolecular interactions in liquid water via cavity molecular dynamics simulation
ORAL
Abstract
We explore the effects of vibrational strong coupling (VSC) on the intermolecular interactions of liquid water by employing classical molecular dynamics simulations within an optical cavity. By focusing on the influence of the cavity modes resonantly coupled to different vibrational modes in water, we aim to elucidate how the cavity field impacts hydrogen bonding and other correlation functions in water. Our results offer intuitions in modifications of the hydrogen bonding network by the optical cavity. These alterations provide insights into how vibrational coupling can reshape the dynamic interactions within water.
*Calculations are performed using the computational facilities of the Flatiron Institute and Princeton University. The Flatiron Institute is a division of the Simons Foundation.
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Presenters
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Iman Ahmadabadi
- University of Maryland College Park and Princeton University