3 papers
physics.chem-ph2024
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…
physics.chem-ph2024
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…
physics.chem-ph2024
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…