Molecular van der Waals Fluids in Cavity Quantum Electrodynamics.

ABSTRACT: Intermolecular van der Waals interactions are central to chemical and physical phenomena ranging from biomolecule binding to soft-matter phase transitions. In this work, we demonstrate that strong light-matter coupling can be used to control the thermodynamic properties of many-molecule systems. Our analyses reveal orientation dependent single molecule energies and interaction energies for van der Waals molecules. For example, we find intermolecular interactions that depend on the distance between the molecules R as R^-3 and R⁰. Moreover, we employ ab initio cavity quantum electrodynamics calculations to develop machine-learning-based interaction potentials for molecules inside optical cavities. By simulating systems ranging from 12 H_2<

SUBMITTER: Philbin JP 

PROVIDER: S-EPMC10578074 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature