14 citations · 21 across the 5 of their papers we have counts for
5 papers
Position-dependent friction in protein folding from a GLE derived with a non-stationary localized projection distribution
Salma Salem, Lucas Tepper, Benjamin J. A. Héry +3
The Generalized Langevin Equation (GLE) is an integro-differential equation of motion for a general observable of a many-body system and is rigorously derived using the projection…
Correcting systematic errors in the likelihood optimization of underdamped Langevin models of molecular dynamics trajectories
David Daniel Girardier, Hadrien Vroylandt, Sara Bonella +1
Since Kramers' pioneering work in 1940, significant efforts have been devoted to studying Langevin equations applied to physical and chemical reactions projected onto few collectiv…
A rigorous data-driven approach to the nucleation of defects in metals exploiting the link between kinetic properties and (dis)order parameters
Mattia Perrone, David D. Girardier, Giovanni M. Pavan +1
Nucleation processes, through which a new structure progressively forms within a pre-existing homogeneous phase, are fundamental in materials science, but are also typically non-tr…
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…
Learning on-top: regressing the on-top pair density for real-space visualization of electron correlation
Alberto Fabrizio, Ksenia R. Briling, David D. Girardier +1
The on-top pair density [] is a local quantum-chemical property that reflects the probability of two electrons of any spin to occupy the same position in sp…