45 citations · 455 across the 44 of their papers we have counts for
45 papers
Reframing the coupling force of adaptive resolution simulation in terms of the Liouville-type hierarchy for open systems
Julian F. Hille, Rupert Klein
In this work, we present a novel perspective on the coupling force employed to compensate the interface artifacts prevalent in adaptive resolution simulations (AdResS) of open many…
On the motion of hairpin filaments in the atmospheric boundary layer
Abhishek Harikrishnan, Marie Rodal, Rupert Klein +2
A recent work of Harikrishnan et al. [arXiv:2110.02253 (2021)] has revealed an abundance of hairpin-like vortex structures, oriented in a similar direction, in the turbulent patche…
WaveTrain: A Python Package for Numerical Quantum Mechanics of Chain-Like Systems Based on Tensor Trains
Jerome Riedel, Patrick Gelß, Rupert Klein +1
WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only. The Python package is centered around ten…
Quantum dynamics of coupled excitons and phonons in chain-like systems: tensor train approaches and higher-order propagators
Patrick Gelß, Sebastian Matera, Rupert Klein +1
We investigate tensor-train approaches to the solution of the time-dependent Schrödinger equation for chain-like quantum systems with on-site and nearest-neighbor interactions only…
Simulation of a particle domain in a continuum/fluctuating hydrodynamics reservoir
Abbas Gholami, Rupert Klein, Luigi Delle Site
In molecular simulation and fluid mechanics, the coupling of a particle domain with a continuum representation of its embedding environment is an ongoing challenge. In this work, w…
Chemical diffusion master equation: formulations of reaction--diffusion processes on the molecular level
Mauricio J. del Razo, Stefanie Winkelmann, Rupert Klein +1
The chemical diffusion master equation (CDME) describes the probabilistic dynamics of reaction--diffusion systems at the molecular level [del Razo et al., Lett. Math. Phys. 112:49,…