54 citations · 655 across the 53 of their papers we have counts for
3 papers · 1 filter
A simple protocol for the probability weights of the simulated tempering algorithm: applications to first-order phase transitions
Carlos E. Fiore, M. G. E. da Luz
The simulated tempering (ST) is an important method to deal with systems whose phase spaces are hard to sample ergodically. However, it uses accepting probabilities weights which o…
Comparing parallel and simulated tempering enhanced sampling algorithms at phase transition regimes
Carlos E. Fiore, M. G. E. da Luz
Two important enhanced sampling algorithms, simulated (ST) and parallel (PT) tempering, are commonly used when ergodic simulations may be hard to achieve, e.g, due to a phase space…
Diffusion anomaly and dynamic transitions in the Bell-Lavis water model
Marcia M. Szortyka, Carlos E. Fiore, Vera B. Henriques +1
In this paper we investigate the dynamic properties of the minimal Bell-Lavis (BL) water model and their relation to the thermodynamic anomalies. The Bell-Lavis model is defined on…