Phases of and adsorbed on doped graphene
MC Gordillo, J Boronat - Physical Review B, 2023 - APS
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 …
diagrams of He 4 and H 2 adsorbed on top was studied using the diffusion Monte Carlo …
Vacancy-induced supersolidity of the second layer on a biphenylene carbon sheet
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 …
phases of He 4 layers adsorbed on a biphenylene sheet, a recently synthesized two …
Investigating the magnetic and hysteretic properties of graphyne-based nanostructures: a comparative study of shape effects on critical temperatures, coercivity, and …
E Kantar - Physica Scripta, 2024 - iopscience.iop.org
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 …
a particular focus on their magnetic and hysteretic features. We analyze the influence of …
[HTML][HTML] Exploring the energy landscape of graphynes for noble gas adsorption using swarm intelligence
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 …
applications owing to its excellent energy efficiency. Herein, we investigate the adsorption of …
Efficient simulations of Hartree--Fock equations by an accelerated gradient descent method
Y Ohno, A Del Maestro, TI Lakoba - arxiv preprint arxiv:2402.17843, 2024 - arxiv.org
We develop convergence acceleration procedures that enable a gradient descent-type
iteration method to efficiently simulate Hartree--Fock equations for atoms interacting both …
iteration method to efficiently simulate Hartree--Fock equations for atoms interacting both …
Entropic long-range ordering in an adsorption-desorption model
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 …
empty sites and desorb when the number of neighboring particles is greater than a given …