eGFRD in all dimensions

TR Sokolowski, J Paijmans, L Bossen… - The Journal of …, 2019 - pubs.aip.org
Biochemical reactions often occur at low copy numbers but at once in crowded and diverse
environments. Space and stochasticity therefore play an essential role in biochemical …

A comparison of force fields for ethanol–water mixtures

M Mijaković, KD Polok, B Kežić, F Sokolić… - Molecular …, 2015 - Taylor & Francis
Aqueous ethanol mixtures are studied through molecular dynamics simulations with the
focus on exploring how various force field models reproduce the association and its …

Tunable transport in bidisperse porous materials with vascular structure

O Vincent, T Tassin, EJ Huber, AD Stroock - Physical Review Fluids, 2024 - APS
We study transport in synthetic, bidisperse porous structures, with arrays of microchannels
interconnected by a nanoporous layer. These structures are inspired by the xylem tissue in …

[HTML][HTML] Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for pure liquids

EA Ploetz, S Karunaweera, PE Smith - The Journal of chemical physics, 2015 - pubs.aip.org
Fluctuation solution theory has provided an alternative view of many liquid mixture
properties in terms of particle number fluctuations. The particle number fluctuations can also …

Is there a pressure-induced discontinuous volume change in liquid Cs?

T Hattori - Physical Review B, 2018 - APS
To verify the first-order liquid-liquid transition (LLT) in liquid Cs reported by Falconi et
al.[Phys. Rev. Lett. 94, 125507 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett …

[HTML][HTML] Role of quantum fluctuations in structural dynamics of liquids of light molecules

A Agapov, VN Novikov, A Kisliuk, R Richert… - The Journal of …, 2016 - pubs.aip.org
A possible role of quantum effects, such as tunneling and zero-point energy, in the structural
dynamics of supercooled liquids is studied by dielectric spectroscopy. The presented results …