3 papers
cond-mat.stat-mech2026
On data-driven parameterizations of multidimensional generalized Langevin dynamics in the presence of a quadratic potential
Maximilian Braun, Martin Hanke, Niklas Wolf
We propose a numerical algorithm to construct a Markov model with an extended list of variables to parameterize the equation of motion of a multidimensional coarse-grained physical…
cond-mat.soft2025
Memory Effects in Contact Line Friction
Niklas Wolf, Nico van der Vegt
When a drop of liquid comes into contact with a solid surface, it relaxes towards an equilibrium configuration, either wetting the surface or remaining in a droplet-like shape with…
cond-mat.stat-mech2024
A Gauss-Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations
V. Klippenstein, N. Wolf, N. F. A. van der Vegt
In molecular dynamics simulations, dynamically consistent coarse-grained (CG) models commonly use stochastic thermostats to model friction and fluctuations that are lost in a CG de…