We carried out molecular dynamics simulations to study the crystallization of long polymers
in a concentrated solution made by an explicit solvent of short chains. The weight-averaged …

We carried out molecular dynamics simulations to study the crystallization of polymer melts
subjected to confinement between two parallel walls. Two types of walls, bare and grafted …

Recently developed linker-mediated vitrimers based on metathesis of dioxaborolanes with
various commercially available polymers have shown both good processability and …

We present results from extensive Monte Carlo simulations on the crystallization of athermal
polymers under full confinement. Polymers are represented as freely jointed chains of …

The local and global order in dense packings of linear, semi-flexible polymers of tangent
hard spheres are studied by employing extensive Monte Carlo simulations at increasing …

We present Simu-D, a software suite for the simulation and successive identification of local
structures of atomistic systems, based on polymers, under extreme conditions, in the bulk, on …

We present results on polymorphism and perfection, as observed in the spontaneous
crystallization of freely jointed polymers of hard spheres, obtained in an unprecedentedly …

We investigate, through Monte Carlo simulations, the heterogeneous crystallization of linear
chains of tangent hard spheres under confinement in one dimension. Confinement is …

The most trivial example of self-assembly is the entropy-driven crystallization of hard
spheres. Past works have established the similarities and differences in the phase behavior …

We study jamming in model freely rotating polymers as a function of chain length N and
bond angle θ 0. The volume fraction at jamming ϕ J (θ 0) is minimal for rigid-rodlike chains …