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 …

Complex crystalline structures in a two-dimensional core-softened system

NP Kryuchkov, SO Yurchenko, YD Fomin, EN Tsiok… - Soft Matter, 2018 - pubs.rsc.org
A transition from a square to a hexagonal lattice is studied in a 2D system of particles
interacting via a core-softened potential. Due to the presence of two length scales of …

[PDF][PDF] Multiple-scale structures: from Faraday waves to soft-matter quasicrystals

S Savitz, M Babadi, R Lifshitz - IUCrJ, 2018 - journals.iucr.org
For many years, quasicrystals were observed only as solid-state metallic alloys, yet current
research is now actively exploring their formation in a variety of soft materials, including …

Complex phase diagrams of systems with isotropic potentials: results of computer simulations

VN Ryzhov, EE Tareyeva, YD Fomin… - Physics-Uspekhi, 2020 - iopscience.iop.org
This review is based on a talk by the authors at the field Scientific session of the Physical
Sciences Division of the Russian Academy of Sciences devoted to the 60th anniversary of …

Mechanisms of nucleation and solid–solid-phase transitions in Triblock Janus Assemblies

H Eslami, A Gharibi… - Journal of Chemical Theory …, 2021 - ACS Publications
A model, including the chemical details of core nanoparticles as well as explicit surface
charges and hydrophobic patches, of triblock Janus particles is employed to simulate …

Dodecagonal quasicrystals of oil-swollen ionic surfactant micelles

A Jayaraman, CM Baez-Cotto… - Proceedings of the …, 2021 - National Acad Sciences
A delicate balance of noncovalent interactions directs the hierarchical self-assembly of
molecular amphiphiles into spherical micelles that pack into three-dimensional periodic …

The phase diagram and melting scenarios of two-dimensional Hertzian spheres

YD Fomin, EA Gaiduk, EN Tsiok, VN Ryzhov - Molecular Physics, 2018 - Taylor & Francis
We present computer simulations of a system of purely repulsive soft colloidal particles
interacting via the Hertz potential and constrained to a two-dimensional plane. This potential …

A comparative metabologenomic approach reveals mechanistic insights into Streptomyces antibiotic crypticity

Y Qi, KK Nepal, JAV Blodgett - Proceedings of the National …, 2021 - National Acad Sciences
Streptomyces genomes harbor numerous, biosynthetic gene clusters (BGCs) encoding for
drug-like compounds. While some of these BGCs readily yield expected products, many do …

Inverse design of crystals and quasicrystals in a non-additive binary mixture of hard disks

EA Bedolla-Montiel, JT Lange… - The Journal of …, 2024 - pubs.aip.org
The development of new materials typically involves a process of trial and error, guided by
insights from past experimental and theoretical findings. The inverse design approach for …

The generalized continuous multiple step (GCMS) potential: model systems and benchmarks

J Munguía-Valadez, MA Chávez-Rojo… - Journal of Physics …, 2022 - iopscience.iop.org
The generalized continuous multiple step (GCMS) potential is presented in this work. Its
flexible form allows for repulsive and/or attractive contributions to be encoded through …