659 citations · 4k across the 77 of their papers we have counts for
81 papers
Static Dielectric Permittivity Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores
Philipp Stärk, Henrik Stooß, Philip Loche +3
The dielectric response of nano-confined fluids is crucial across technologies and biological systems, yet its calculation and interpretation from molecular simulations are often m…
Nanoscale defects and heterogeneous cavitation in water
Marin Šako, Fabio Staniscia, Roland R. Netz +2
Cavitation, the formation of vapor bubbles in metastable liquids, is highly sensitive to nanoscale surface defects. Using molecular dynamics simulations and classical nucleation th…
Water cavitation results from the kinetic competition of bulk, surface and surface-defect nucleation events
Philip Loche, Matej Kanduč, Emanuel Schneck +1
Water at negative pressures can remain in a metastable state for a surprisingly long time before it reaches equilibrium by cavitation, i.e. by the formation of vapor bubbles. The w…
Derivation of the non-equilibrium generalized Langevin equation from a generic time-dependent Hamiltonian
Roland R. Netz
It has been become standard practice to describe steady-state non-equilibrium phenomena by Langevin equations with colored noise and time-dependent friction kernels that do not obe…
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…
Collective modes and quantum effects in two-dimensional nanofluidic channels
Baptiste Coquinot, Maximilian Becker, Roland R. Netz +2
Nanoscale fluid transport is typically pictured in terms of atomic-scale dynamics, as is natural in the real-space framework of molecular simulations. An alternative Fourier-space…