Target Search of Active Agents Crossing High Energy Barriers

Phys Rev Lett. 2021 Jan 8;126(1):018001. doi: 10.1103/PhysRevLett.126.018001.

Abstract

Target search by active agents in rugged energy landscapes has remained a challenge because standard enhanced sampling methods do not apply to irreversible dynamics. We overcome this nonequilibrium rare-event problem by developing an algorithm generalizing transition-path sampling to active Brownian dynamics. This method is exemplified and benchmarked for a paradigmatic two-dimensional potential with a high barrier. We find that even in such a simple landscape the structure and kinetics of the ensemble of transition paths changes drastically in the presence of activity. Indeed, active Brownian particles reach the target more frequently than passive Brownian particles, following longer and counterintuitive search patterns.