Related papers: Zero-temperature dynamics of solid 4He from quantu…
We introduce a general Monte Carlo scheme for achieving atomistic simulations with monoelectronic Hamiltonians including the thermalization of both nuclear and electronic degrees of freedom. The kinetic Monte Carlo algorithm is used to…
An efficient continuous-time path-integral Quantum Monte Carlo algorithm for the lattice polaron is presented. It is based on Feynman's integration of phonons and subsequent simulation of the resulting single-particle self-interacting…
The properties of hot hadronic matter are of great importance to the studies of heavy-ion collisions, cosmology and compact star formation. I briefly outline the current methods in use in the lattice simulations of QCD thermodynamics at…
Monte Carlo simulations are performed to study the properties of type-II superconducting films in a magnetic field in which the vortices move in the two-dimensional geometry represented by the surface of a sphere. No numerical evidence is…
We study a one-dimensional two-component Fermi gas in a harmonic trapping potential using finite temperature lattice quantum Monte Carlo methods. We are able to compute observables in the canonical ensemble via an efficient projective…
We report high-resolution neutron Compton scattering measurements of liquid $^4$He under saturated vapor pressure. There is excellent agreement between the observed scattering and ab initio predictions of its lineshape. Quantum Monte Carlo…
We present a method for the direct evaluation of the difference between the free energies of two crystalline structures, of different symmetry. The method rests on a Monte Carlo procedure which allows one to sample along a path, through…
We study the physics of soft-core bosons at zero temperature in two dimensions for a class of potentials that could be realised in experiments with Rydberg dressed Bose-Einstein condensates. We analyze the ground state properties of the…
Thin $^4$He films adsorbed to weakly attractive substrates form nearly 2D layers. We describe the vortices in 2D superfluid $^4$He like quasiparticles. With the aid of a variational many-body calculation we estimate their inertial mass and…
The phonon dynamics in a one dimensional Heisenberg spin chain coupled to finite-frequency bond phonons is studied. We present the first detailed phonon spectra for these systems using Quantum Monte Carlo. The quantum phase transition is…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
We develop a molecular dynamics framework to compute the mode-resolved phonon spectral density from classical correlations of an annihilation-like phonon variable. For harmonic oscillators, classical molecular dynamics exactly reproduces…
In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering mechanisms that produce thermal resistance. In…
In this thesis, the properties of mixtures of Bose-Einstein condensates at $T = 0$ have been investigated using quantum Monte Carlo (QMC) methods and Density Functional Theory (DFT) with the aim of understanding physics beyond the…
We present new results for the Kondo lattice model of strongly correlated electrons, in 1-, 2-, and 3-dimensions, obtained from high-order linked-cluster series expansions. Results are given for varies ground state properties at…
We present the numerically exact ground state energy, effective mass, and isotope exponents of a one-dimensional lattice polaron, valid for any range of electron-phonon interaction, applying a new continuous-time Quantum Monte Carlo (QMC)…
This review gives a critical assessment of the current state of lattice simulations of QCD thermodynamics and what it teaches us about hot hadronic matter. It outlines briefly lattice methods for studying QCD at nonzero temperature and zero…
On the basis of the self-consistent phonon theory and the special displacement method, we develop an approach for the treatment of anharmonicity in solids. We show that this approach enables the efficient calculation of…
A first-principles density functional method along with the direct solution of linearized Boltzmann transport equations are employed to systematically analyze the low-temperature thermal transport in crystalline GeTe. The extensive thermal…
Motivated by the possibility of a strain tuning effect on electronic properties of graphene, the semimetal-Mott insulator transition process on the uniaxial honeycomb lattice is numerically studied using Determinant Quantum Monte Carlo. As…