Related papers: A quantum Monte Carlo based density functional for…
Ultracold gases of dipolar molecules have long been envisioned as a platform for the realization of novel quantum phases. Recent advances in collisional shielding, protecting molecules from inelastic losses, have enabled the creation of…
Strongly interacting systems of dipolar bosons in three dimensions confined by harmonic traps are analyzed using the exact Path Integral Ground State Monte Carlo method. By adding a repulsive two-body potential, we find a narrow window of…
We introduce a Diagrammatic Monte Carlo (DiagMC) approach to angular momentum properties of quantum many-particle systems possessing a macroscopic number of degrees of freedom. The treatment is based on a diagrammatic expansion that merges…
A quantum liquid in a heterogeneous mixture of $^{41}$K and $^{87}$Rb atoms is studied using the diffusion Monte Carlo method and Density Functional Theory. The perturbative Lee-Huang-Yang term for a heterogeneous mixture is verified and it…
The properties of a supersolid state (SS) in quasi-one-dimensional dipolar Bose-Einstein condensate is studied, considering two possible mechanisms of realization - due to repulsive three-body atomic interactions and quantum fluctuations in…
We report quantum Monte Carlo results of harmonically confined quantum Bose dipoles within a range of interactions covering the evolution from a gas phase to the formation of an array of droplets. Scaling the experimental setup to a…
We develop a diagrammatic Monte Carlo method for the real-time dynamics of dissipative quantum impurity models. These are small open quantum systems with interaction and local Markovian dissipation, coupled to a large quantum bath. Our…
The relationship between the exact kinetic energy density in a quantum system in the frame of Density Functional Theory and the semiclassical functional expression for the same quantity is investigated. The analysis is performed with Monte…
Colloidal droplets are used in a variety of practical applications. Some of these applications require particles of different sizes. These include medical diagnostic methods, the creation of photonic crystals, the formation of…
In quantum droplets, the mean-field energy is comparable to the Lee-Huang-Yang (LHY) energy. In the Bogoliubov theory, the LHY energy of the quantum droplet has an imaginary part, but it is neglected for practical purposes. So far, most…
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…
A gas of ultracold molecules interacting via the long-range dipolar potential offers a highly controlled environment in which to study strongly correlated phases. However, at particle coalescence the divergent $1/r^3$ dipolar potential and…
Making and using polaritonic states (i.e., hybrid electron-photon states) for chemical applications have recently become one of the most prominent and active fields that connects the communities of chemistry and quantum optics. Modeling of…
We review efficient Monte Carlo methods for simulating quantum systems which couple to a dissipative environment. A brief introduction of the Caldeira-Leggett model and the Monte Carlo method will be followed by a detailed discussion of…
We exploit a few- to many-body approach to study strongly interacting dipolar bosons in the quasi-one-dimensional system. The dipoles attract each other while the short range interactions are repulsive. Solving numerically the multi-atom…
We introduce a novel multi-discontinuity algorithm for efficient global update of world-line configurations in Monte Carlo simulations of interacting quantum systems. This new algorithm is a generalization of the two-discontinuity…
Electronic structure of the manganese oxide solid is studied by the quantum Monte Carlo (QMC) methods. The trial wavefunctions are built using orbitals from unrestricted Hartree-Fock and Density Functional Theory, and the electron-electron…
In the kernel density estimation (KDE) problem one is given a kernel $K(x, y)$ and a dataset $P$ of points in a Euclidean space, and must prepare a data structure that can quickly answer density queries: given a point $q$, output a…
We report diffusion Monte Carlo (DMC) calculations on MgO in the rock-salt and CsCl structures. The calculations are based on Hartree-Fock pseudopotentials, with the single-particle orbitals entering the correlated wave function being…
We present a study of spin-unpolarized and spin-polarized two-dimensional uniform electron liquids using variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions. Ground-state VMC…