19 citations · 20 across the 8 of their papers we have counts for
10 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…
The influence of multi-dimensionality and off-diagonal non-Markovian friction coupling on coarse-grained dynamics
Henrik Kiefer, Cihan Ayaz, Benjamin A. Dalton +1
Coarse-graining complex molecular systems to lower-dimensional reaction coordinates is a powerful approach for capturing their effective dynamics. The generalized Langevin equation…
Analysis and Simulation of Generalized Langevin Equations with Non-Gaussian Orthogonal Forces
Henrik Kiefer, Benjamin J. A. Héry, Lucas Tepper +3
The generalized Langevin equation (GLE) is a useful framework for analyzing and modeling the dynamics of many-body systems in terms of low-dimensional reaction coordinates, with it…
Memory and Friction: From the Nanoscale to the Macroscale
Benjamin A. Dalton, Anton Klimek, Henrik Kiefer +5
Friction is a phenomenon that manifests across all spatial and temporal scales, from the molecular to the macroscopic scale. It describes the dissipation of energy from the motion…
Predictability Analysis and Prediction of Discrete Weather and Financial Time-Series Data with a Hamiltonian-Based Filter-Projection Approach
Henrik Kiefer, Denis Furtel, Cihan Ayaz +3
The generalized Langevin equation (GLE), derived by projection from a general many-body Hamiltonian, exactly describes the dynamics of an arbitrary coarse-grained variable in a com…
Effect of Frequency-Dependent Viscosity on Molecular Friction in Liquids
Henrik Kiefer, Domenico Vitali, Benjamin A. Dalton +2
The relation between the frequency-dependent friction of a molecule in a liquid and the hydrodynamic properties of the liquid is fundamental for molecular dynamics. We investigate…
Nanoscopic Interfacial Hydrogel Viscoelasticity Revealed from Comparison of Macroscopic and Microscopic Rheology
Robert F. Schmidt, Henrik Kiefer, Robert Dalgliesh +2
Deviations between macrorheological and particle-based microrheological measurements are often considered a nuisance and neglected. We study aqueous poly(ethylene oxide) (PEO) hydr…
Conformational isomerization dynamics in solvent violates both the Stokes-Einstein relation and Kramers' theory
Benjamin A. Dalton, Henrik Kiefer, Roland R. Netz
Molecular isomerization kinetics in liquid solvents are determined by a complex interplay between the friction acting on a rotating dihedral due to interactions with the solvent, i…
Frequency-dependent hydrodynamic finite size correction in molecular simulations reveals the long-time hydrodynamic tail
Laura Scalfi, Domenico Vitali, Henrik Kiefer +1
Finite-size effects are challenging in molecular dynamics simulations because they have significant effects on computed static and dynamic properties, in particular diffusion const…
Fast protein folding is governed by memory-dependent friction
Benjamin A. Dalton, Cihan Ayaz, Lucas Tepper +1
When described by a low-dimensional reaction coordinate, the rates of protein folding are determined by a subtle interplay between free-energy barriers and friction. While it is co…