We report the results of large-scale molecular dynamics simulations of adsorption
nanoparticles on solid surfaces. The particles were modeled as stiff aggregates of spherical …

Molecular dynamics simulations are used to investigate the behavior of polymer-tethered
nanoparticles between two inert or attractive walls. The confinement in pores creates new …

We propose reinforcement learning to control the dynamical self-assembly of a dodecagonal
quasicrystal (DDQC) from patchy particles. Patchy particles undergo anisotropic interactions …

Nano-to micro-sized particles with differently charged surface areas exhibit complex
interaction patterns, characterized by both opposite-charge attraction and like-charge …

In this work, a novel blue-green fluorescence phosphorous oxide quantum dots (PO QDs)
was synthesized by solvothermal method in N-methyl-2-pyrrolidone (NMP) solution without …

Designing complex cluster crystals with a specific function using simple colloidal building
blocks remains a challenge in materials science. Herein, we propose a conceptually new …

We investigate rearrangements of a single hairy particle at a liquid-liquid interface using
coarse-grained molecular dynamics simulations. We consider the particles with the same …

Shape transformations of hairy nanoparticles under confinement are studied using
molecular dynamic simulations. We discuss the behavior of these particles in slits with inert …