Simulation results for a confined nanoparticle with explicit solvent

Potential of Mean Force for a Confined Nanoparticle Between Featureless Walls Description:This dataset contains potential of mean force (PMF) profiles, along with corresponding energy and entropy contributions, for a single nanoparticle confined between two featureless walls. The PMF is computed as a function of the nanoparticle’s vertical position within the confinement using the WHAM. File naming convention:pmf-energy.SYSTEM.GAP SYSTEM — Type of interaction between the nanoparticle and solvent particles: fless: Lennard-Jones (LJ) interaction wca: Weeks–Chandler–Andersen (WCA), a purely repulsive interaction GAP — Distance between the confining walls (i.e., slit size) Reference:For simulation details and methodology, see: https://arxiv.org/abs/2504.01353