SMBp Group Meeting: Pilar Cossio (CCM, CCB)

Thursday Jan 20, 2022, 10:00 AM → 11:00 AM America/New_York

3rd Floor Conference Room/3-Flatiron Institute (162 5th Avenue)

Title: New insights for extracting the transition rate and quality of bias from metadynamics simulations

Abstract: In this talk, I will revise the theory to extract the transition rate and quality of bias from metadynamics simulations using Kramers' theory. Then, I will present two new examples where we explore extreme overbiasing regimes, and establish convergence criteria. These results have led us to elucidate a generalized dynamics as a function of the time normalized by the bias-deposition time in the converged regime.