58 citations · 99 across the 4 of their papers we have counts for
5 papers
Global free energy landscapes as a smoothly joined collection of local maps
F. Giberti, G. A. Tribello, M. Ceriotti
Enhanced sampling techniques have become an essential tool in computational chemistry and physics, where they are applied to sample activated processes that occur on a time scale t…
Iterative unbiasing of quasi-equilibrium sampling
Federico Giberti, Bingqing Cheng, Gareth Aneurin Tribello +1
Atomistic modelling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation t…
3BrY nucleation: from dimers to needle-like clusters
Federico Giberti, Matteo Salvalaglio, Marco Mazzotti +1
The nucleation of 1,3,5-Tris(4-bromophenyl)- benzene (3BrY) occurs through the formation of amorphous intermediates. However, a detailed experimental characterization of the struct…
The Excess Proton at the Air-Water Interface: The Role of Instantaneous Liquid Interfaces
Federico Giberti, Ali A. Hassanali
The magnitude of the pH of the surface of water continues to be a contentious topic in the physical chemistry of aqueous interfaces. Recent theoretical studies have shown little or…
Chemical Potential Calculations In Dense Liquids Using Metadynamics
Claudio Perego, Federico Giberti, Michele Parrinello
The calculation of chemical potential has traditionally been a challenge in atomistic simulations. One of the most used approaches is Widom's insertion method in which the chemical…