Related papers: Microscopically-resolved simulations prove the exi…
We use machine learning algorithms to detect the crystalline phase in undercooled melts in molecular dynamics simulations. Our classification method is based on local conformation and environmental fingerprints of individual monomers. In…
We prove finite crystallization for particles in the plane interacting through a soft disc potential, as originally shown by C. Radin \cite{Radin_soft}. We give an alternative proof that relies on the geometric decomposition of the energy…
Originally, tangles were invented as an abstract tool in mathematical graph theory to prove the famous graph minor theorem. In this paper, we showcase the practical potential of tangles in machine learning applications. Given a collection…
Melts of 3-dimensional dendritic beads-springs, namely coarse-grained soft-clusters, are studied by molecular dynamics simulations. The goal is to elucidate the unique dynamics of giant molecules, or generally speaking, 3-dimensional…
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger lattice spacings. Although particle-based molecular simulation…
Young massive star clusters spanning $\sim 10^4 - 10^8 M_\odot$ in mass have been observed to have similar surface brightness profiles. Recent hydrodynamical simulations of star cluster formation have also produced star clusters with this…
In a recent article [J. G. Wang, U. Dhumal, M. E. Zakhari, and R. N. Zia, AIChE Journal 72, e70275 (2026).], the authors discuss the absence of simulations of monodisperse hard spheres in which a metastable fluid spontaneously nucleates…
Using a minimal model based on the continuum theory of a 2D hard-core/square-shoulder ensemble, we reinterpret the main features of cluster mesophases formed by colloids with soft concave repulsive interactions. We rederive the lattice…
We study the formation of clusters consisting of several chains in dilute solutions of amphiphilic heteropolymers. By means of the Gaussian variational theory we show that in a region of the phase diagram within the conventional two-phase…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
We investigate the formation and stability of a pair of identical soft capsules in channel flow under mild inertia. We employ a combination of the lattice Boltzmann, finite element and immersed boundary methods to simulate the elastic…
We derive and introduce anisotropic effective pair potentials to coarse-grain solutions of semiflexible rings polymers of various lengths. The system has been recently investigated by means of full monomer-resolved computer simulations,…
Fluids made of two-dimensional hard particles with polygonal shapes may stabilize symmetries which do not result directly from the particle shape. This is due to the formation of clusters in the fluid. Entropy alone can drive these effects,…
We present results of fully self-consistent N-body simulations of the motion of four globular clusters moving in the inner region of their parent galaxy. With regard to previous simplified simulations, we confirm merging and formation of an…
In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase…
We use monomer-resolved numerical simulations to study the positional and orientational structure of a dense dendrimer solution, focusing on the effects of dendrimers' prolate shape and deformability on the short-range order. Our results…
We investigate the properties and evolution of star particles in two simulations of isolated spiral galaxies, and two galaxies from cosmological simulations. Unlike previous numerical work, where typically each star particle represents one…
We describe a Monte Carlo scheme which, in a single simulation, yields a measurement of the chemical potential of a crystalline solid. Within the isobaric ensemble, this immediately provides an estimate of the system free energy, with…
We study model protein solutions and colloidal suspensions in the temperature range whereupon the nature of the system changes from a homogeneous fluid to a "cluster fluid". It is commonly assumed - as deduced by the behavior of the…
We present an extensive computer simulation study of structure formation in amphiphilic block copolymer solutions after a quench from a homogeneous state. By using a mesoscopic field-based simulation method, we are able to access time…