5 papers
Steady--State Current Signatures of Strong Light--Matter Coupling in Single--Molecule Junctions
Kritanjan Polley, Norah M. Hoffmann
Strong light-matter coupling offers exciting opportunities for controlling molecular properties, yet resolving single-molecule behavior from collective effects remains a challenge.…
Scalable Simulation of Quantum Dynamics on Topological Quantum Hardware
Kritanjan Polley, Mark E. Tuckerman
Quantum computers offer a significant advantage in simulating quantum systems compared to classical computers for certain problems, although most current applications are limited t…
A Windowed Mean Trajectory Approximation for Condensed Phase Dynamics
Kritanjan Polley
We propose a trajectory-based quasiclassical method for approximating dynamics in condensed phase systems. Building upon the previously developed Optimized Mean Trajectory (OMT) ap…
Elucidating the mechanism of helium evaporation from liquid water
Kritanjan Polley, Kevin R. Wilson, David T. Limmer
We investigate the evaporation of trace amounts of helium solvated in liquid water using molecular dynamics simulations and theory. Consistent with experimental observations, we fi…
On the Statistical Mechanics of Mass Accommodation at Liquid-Vapor Interfaces
Kritanjan Polley, Kevin R. Wilson, David T. Limmer
We propose a framework for describing the dynamics associated with the adsorption of small molecules to liquid-vapor interfaces, using an intermediate resolution between traditiona…