Related papers: Recent developments in Quantum Monte-Carlo simulat…
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…
A lattice boson model is used to study ordering phenomena in regular 2D array of superconductive mesoscopic granules, Josephson junctions or pores filled with a superfluid helium. Phase diagram of the system, when quantum fluctuations of…
Treating the fermionic ground state problem as a constrained stochastic optimization problem, a formalism for fermionic quantum Monte Carlo is developed that makes no reference to a trial wavefunction. Exchange symmetry is enforced by…
The advances in materials and biological sciences have necessitated the use of molecular simulations to study polymers. The Markov chain Monte Carlo simulations enable the sampling of relevant microstates of polymeric systems by traversing…
Precise understanding of strongly interacting fermions, from electrons in modern materials to nuclear matter, presents a major goal in modern physics. However, the theoretical description of interacting Fermi systems is usually plagued by…
One of the most promising applications of ultracold gases in optical lattices is the possibility to use them as quantum emulators of more complex condensed matter systems. We provide benchmark calculations, based on exact quantum Monte…
In the quest toward realizing novel quantum matter in ultracold molecular gases, we perform a numerical study of evaporative cooling in ultracold gases of microwave-shielded polar fermionic molecules. Our Monte Carlo simulations incorporate…
We present a new approach to path integral Monte Carlo (PIMC) simulations based on the worm algorithm, originally developed for lattice models and extended here to continuous-space many-body systems. The scheme allows for efficient…
We generalize the recently developed diagrammatic Monte Carlo techniques for quantum impurity models from an imaginary time to a Keldysh formalism suitable for real-time and nonequilibrium calculations. Both weak-coupling and…
This article outlines how the quantum Monte Carlo directed loop update recently introduced can be applied to a wide class of quantum lattice models. Several models are considered: Spin-S XXZ models with longitudinal and transverse magnetic…
The central idea of this review is to consider quantum field theory models relevant for particle physics and replace the fermionic matter in these models by a bosonic one. This is mostly motivated by the fact that bosons are more…
Recently the general form of a translation-covariant quantum Boltzmann equation has been derived which describes the dynamics of a tracer particle in a quantum gas. We develop a stochastic wave function algorithm that enables full…
We review recent developments in the physics of ultracold atomic and molecular gases in optical lattices. Such systems are nearly perfect realisations of various kinds of Hubbard models, and as such may very well serve to mimic condensed…
We design a novel formalism of determinant quantum Monte Carlo method for the half-filled Hubbard model with on-site Hubbard interaction $U$ and nearest neighbor density-density interaction $V$ on the square lattice. The formalism is free…
Fermi gases in strongly coupled regimes, such as the unitary limit, are inherently challenging for many-body methods. Although much progress has been made with purely analytic methods, quantitative results require ab initio numerical…
The path integral formulation of quantum mechanical problems including fermions is often affected by a severe numerical sign problem. We show how such a sign problem can be alleviated by a judiciously chosen constant imaginary offset to the…
The use of gas expansions to generate atomic or molecular beams has become a standard technique in nuclear and hadron physics for the production of polarized ion beams and gas targets. A direct simulation Monte Carlo method was used to…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…
We have used the auxiliary-field quantum Monte Carlo (AFQMC) many-body approach on the lattice to study the equation of state for a fermionic impurity interacting with a background sea of spin-polarized fermions. The impurity, or polaron,…
We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…