368 citations · 4.4k across the 102 of their papers we have counts for
102 papers
Efficient Data Selection Methods for the Development of Machine Learned Potentials
Jan Finkbeiner, Samuel Tovey, Christian Holm
We present an investigation into data selection methods for the efficient sampling of configuration space as applied to the development of inter-atomic potentials for scale bridgin…
A Numerical Investigation of Analyte Size Effects in Nanopore Sensing Systems
Kai Szuttor, Patrick Kreissl, Christian Holm
We investigate the ionic current modulation in DNA nanopore translocation setups by numerically solving the electrokinetic mean-field equations for an idealized model. Specifically…
Modeling the Current Modulation of Bundled DNA Structures in Nanopores
Kai Szuttor, Florian Weik, Jean-Noël Grad +1
We investigate the salt-dependent current modulation of bundled DNA nanostructures in a nanopore. To this end, we developed four simulation models for a 2x2 origami structure with…
Frequency-dependent magnetic susceptibility of magnetic nanoparticles in a polymer solution: a simulation study
Patrick Kreissl, Christian Holm, Rudolf Weeber
Magnetic composite materials i.e. elastomers, polymer gels, or polymer solutions with embedded magnetic nanoparticles are useful for many technical and bio-medical applications. Ho…
An extensible lattice Boltzmann method for viscoelastic flows: complex and moving boundaries in Oldroyd-B fluids
Michael Kuron, Cameron Stewart, Joost de Graaf +1
Most biological fluids are viscoelastic, meaning that they have elastic properties in addition to the dissipative properties found in Newtonian fluids. Computational models can hel…
The Influence of Motility on Bacterial Accumulation in a Microporous Channel
Miru Lee, Christoph Lohrmann, Kai Szuttor +2
We study the transport of bacteria in a porous media modeled by a square channel containing one cylindrical obstacle via molecular dynamics simulations coupled to a lattice Boltzma…