Classical dynamical density functional theory: from fundamentals to applications

M te Vrugt, H Löwen, R Wittkowski - Advances in Physics, 2020 - Taylor & Francis
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …

Inverse design of soft materials via a deep learning–based evolutionary strategy

GM Coli, E Boattini, L Filion, M Dijkstra - Science advances, 2022 - science.org
Colloidal self-assembly—the spontaneous organization of colloids into ordered structures—
has been considered key to produce next-generation materials. However, the present-day …

Primitive model electrolytes in the near and far field: Decay lengths from DFT and simulations

P Cats, R Evans, A Härtel, R Van Roij - The Journal of chemical …, 2021 - pubs.aip.org
Inspired by recent experimental observations of anomalously large decay lengths in
concentrated electrolytes, we revisit the Restricted Primitive Model (RPM) for an aqueous …

On a conjecture concerning the Fisher–Widom line and the line of vanishing excess isothermal compressibility in simple fluids

AM Montero, Á Rodríguez-Rivas, SB Yuste… - Molecular …, 2024 - Taylor & Francis
In the statistical mechanics approach to liquid-state theory, understanding the role of the
intermolecular potential in determining thermodynamic and structural properties is crucial …

Rectangle-triangle soft-matter quasicrystals with hexagonal symmetry

AJ Archer, T Dotera, AM Rucklidge - Physical Review E, 2022 - APS
Aperiodic (quasicrystalline) tilings, such as Penrose's tiling, can be built up from, eg, kites
and darts, squares and equilateral triangles, rhombi-or shield-shaped tiles, and can have a …

On the decay of the pair correlation function and the line of vanishing excess isothermal compressibility in simple fluids

D Stopper, H Hansen-Goos, R Roth… - The Journal of chemical …, 2019 - pubs.aip.org
We revisit the competition between attractive and repulsive interparticle forces in simple
fluids and how this governs and connects the macroscopic phase behavior and structural …

Design of Linear Block Copolymers and ABC Star Terpolymers That Produce Two Length Scales at Phase Separation

M Joseph, DJ Read, AM Rucklidge - Macromolecules, 2023 - ACS Publications
Quasicrystals (materials with long-range order but without the usual spatial periodicity of
crystals) were discovered in several soft matter systems in the last 20 years. The stability of …