The influence of attractive boron impurities, embedded on a graphene sheet, on the phase
diagrams of He 4 and H 2 adsorbed on top was studied using the diffusion Monte Carlo …

We have performed path-integral Monte Carlo calculations to investigate various quantum
phases of He 4 layers adsorbed on a biphenylene sheet, a recently synthesized two …

Our study aims to investigate the physical properties of graphyne-based nanostructures, with
a particular focus on their magnetic and hysteretic features. We analyze the influence of …

Gas adsorption on one-atom-thick membranes is a growing technology for separation
applications owing to its excellent energy efficiency. Herein, we investigate the adsorption of …

We develop convergence acceleration procedures that enable a gradient descent-type
iteration method to efficiently simulate Hartree--Fock equations for atoms interacting both …

We examine a two-dimensional nonequilibrium lattice model where particles adsorb at
empty sites and desorb when the number of neighboring particles is greater than a given …