180 citations · 421 across the 19 of their papers we have counts for
19 papers
Mass-Zero constrained dynamics and statistics for the shell model in magnetic field
David D. Girardier, Alessandro Coretti, Giovanni Ciccotti +1
In several domains of physics, including first principle simulations and classical models for polarizable systems, the minimization of an energy function with respect to a set of a…
Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems
Alessandro Coretti, Laura Scalfi, Camille Bacon +5
Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perf…
Adiabatic motion and statistical mechanics via mass zero constrained dynamics
Sara Bonella, Alessandro Coretti, Rodolphe Vuilleumier +1
In recent work [Coretti et al., The Journal of Chemical Physics, 2018, 149, 191102], a new algorithm to solve numerically the dynamics of the shell model for polarization was prese…
On the force--velocity relationship of a bundle of rigid living filaments
Alessia Perilli, Carlo Pierleoni, Giovanni Ciccotti +1
In various cellular processes, biofilaments like F-actin and F-tubulin are able to exploit chemical energy associated to polymerization to perform mechanical work against an extern…
Partitioning a macroscopic system into independent subsystems
Luigi Delle Site, Giovanni Ciccotti, Carsten Hartmann
We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a sub…
On the Properties of a Bundle of Flexible Actin Filaments in an Optical Trap
Alessia Perilli, Carlo Pierleoni, Giovanni Ciccotti +1
We establish the Statistical Mechanics framework for a bundle of Nf living and uncrosslinked actin filaments in a supercritical solution of free monomers pressing against a mobile…