27 citations · 31 across the 5 of their papers we have counts for
5 papers
The Reweighting Principle in Statistical Mechanics
Salvatore Romano
Reweighting of probability measures provides a unifying perspective on ensemble transformations in statistical mechanics. We distinguish two complementary classes of reweighting: s…
Towards decoding the structure of water-magnetite interface
Salvatore Romano, Harsharan Kaur, Moritz Zelenka +9
The molecular structure of water at iron-oxide interfaces is determined by the protonation state, orientation and population of interfacial OH species. These microscopic features c…
Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential
Salvatore Romano, Pablo Montero de Hijes, Matthias Meier +3
The magnetite/water interface is commonly found in nature and plays a crucial role in various technological applications. However, our understanding of its structural and dynamical…
The kinetics of the ice-water interface from ab initio machine learning simulations
Pablo Montero de Hijes, Salvatore Romano, Alexander Gorfer +1
Molecular simulations employing empiric force fields have provided valuable knowledge about the ice growth process in the last decade. The development of novel computational techni…
Conditioning Normalizing Flows for Rare Event Sampling
Sebastian Falkner, Alessandro Coretti, Salvatore Romano +2
Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the samp…