Accelerating Molecular Dynamics through Informed Resetting

JR Church, O Blumer, TD Keidar… - Journal of Chemical …, 2025 - ACS Publications
We present a procedure for enhanced sampling of molecular dynamics simulations through
informed stochastic resetting. Many phenomena, such as protein folding and crystal …

Shear-driven diffusion with stochastic resetting

I Abdoli, KS Olsen, H Löwen - Physics of Fluids, 2024 - pubs.aip.org
External flows, such as shear flow, add directional biases to particle motion, introducing
anisotropic behavior into the system. Here, we explore the non-equilibrium dynamics that …