title: Establishing Uniform Acceptance in Force Biased Monte Carlo Simulations.
abstract: Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter λ = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter λ = 0 [Rao, M. et al. Mol. Phys.1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods.
authors.affiliation: University of Antwerp, Department of Chemistry, Universiteitsplein 1, 2610 Wilrijk-Antwerp, Belgium.
authors.forename: E C
authors.initials: EC
authors.lastname: Neyts
authors.affiliation: Delft University of Technology, Department of Materials Science and Engineering, Mekelweg 2, 2628 CD Delft, The Netherlands.
authors.forename: B J
authors.initials: BJ
authors.lastname: Thijsse
authors.affiliation: Katholieke Universiteit Leuven, Department of Physics, Celestijnenlaan 200 D, B-3001 Leuven, Belgium.|IMEC, Kapeldreef 75, 3001 Heverlee, Belgium.
authors.forename: M J
authors.initials: MJ
authors.lastname: Mees
authors.affiliation: University of Antwerp, Department of Chemistry, Universiteitsplein 1, 2610 Wilrijk-Antwerp, Belgium.
authors.forename: K M
authors.initials: KM
authors.lastname: Bal
authors.affiliation: University of Antwerp, Department of Chemistry, Universiteitsplein 1, 2610 Wilrijk-Antwerp, Belgium.|IMEC, Kapeldreef 75, 3001 Heverlee, Belgium.
authors.forename: G
authors.initials: G
authors.lastname: Pourtois