Related papers: Quantum Monte Carlo Study of Semiconductor Artific…
We implement a computational pipeline based on a recent machine learning technique, namely the Topological Data Analysis (TDA), that has the capability of extracting powerful information-carrying topological features. We apply such a method…
We investigate chiral graphene nanoribbons using projective quantum Monte Carlo simulations within the local Hubbard model description and study the effects of electron-electron interactions on the electronic and magnetic properties at the…
A spin liquid is a novel quantum state of matter with no conventional order parameter where a finite charge gap exists even though the band theory would predict metallic behavior. Finding a stable spin liquid in two or higher spatial…
We revisit the problem of adsorption of a single He-4 layer on graphene, focusing on the commensurate C1/3 crystalline phase, specifically on whether it may possess a nonzero superfluid response, and on the existence of superfluid phases,…
The Anderson model of an $s$-wave single-orbital correlated impurity placed on a noninteracting honeycomb lattice, a simplified model for studying an impurity on graphene, is used to investigate pseudogap Kondo problem. In this model, there…
We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interactions. Following our previous introduction of fixed-phase…
Periodic nanostructures can display the dynamics of arrays of atoms while enabling the tuning of interactions in ways not normally possible in Nature. We examine one dimensional arrays of a ``synthetic atom,'' a one dimensional ring with a…
Critical properties of the Ising model on a stacked triangular lattice, with antiferromagnetic first and second-neighbor in-plane interactions, are studied by extensive histogram Monte Carlo simulations. The results, in conjunction with the…
Silicon undergoes a phase transition from the semiconducting diamond phase to the metallic beta-Sn phase under pressure. We use quantum Monte Carlo calculations to predict the transformation pressure and compare the results to density…
The interaction and exchange-correlation contributions to the ground-state energy of an arbitrary many-electron system can be obtained from a spherical average of the wavevector-dependent diagonal structure factor (SF). We model the…
Motivated by the recent experimental realization of the Haldane model by ultracold fermions in an optical lattice, we investigate phase diagrams of the hard-core Bose-Hubbard model on a honeycomb lattice. This model is closely related with…
The density of electronic one-particle states in monolayer graphene is studied by performing the Hybrid Monte-Carlo simulations of the tight-binding model for electrons on the pi orbitals of carbon atoms which make up the graphene lattice.…
The interaction between graphene and hexagonal boron nitride (hBN) plays a pivotal role in determining the electronic and structural properties of graphene-based devices. In this work, we employ quantum Monte Carlo (QMC) to study the…
A generalized version of the fidelity susceptibility of single-band and multi-orbital Hubbard models is systematically studied using single-site dynamical mean-field theory in combination with a hybridization expansion continuous-time…
We study the impurity-induced phase transitions in a quasi-one-dimensional Heisenberg antiferromagnet doped with magnetic spin-1/2 impurities and non-magnetic ones. The impurity-induced transition temperature determined by the quantum Monte…
We numerically study the superconductor-insulator phase transition in a model disordered 2D superconductor as a function of applied magnetic field. The calculation involves quantum Monte Carlo calculations of the (2+1)D XY model in the…
We show that strained or deformed honeycomb lattices are promising platforms to realize fractional topological quantum states in the absence of any magnetic field. The strained induced pseudo magnetic fields are oppositely oriented in the…
We consider a two-species hard-core boson Hubbard model for a supersolid, where the two types of bosons represent vacancies and interstitials doped into a commensurate crystal. The on-site inter-species interaction may create bound states…
We study the finite-temperature behaviour of two-dimensional S=1/2 Heisenberg antiferromagnets with very weak easy-axis and easy-plane exchange anisotropies. By means of quantum Monte Carlo simulations, based on the continuous-time loop and…
Motivated by the recent realization of an artificial quantum spin ice in an array of superconducting qubits with tunable parameters [King {\it et al.}, Science 373, 576 (2021)], we scrutinize a quantum six vertex model on the square lattice…