Optimal control of quantum permutation algorithm with a molecular ququart.

Quantum algorithms can afford greater computational efficiency compared to their classical counterparts when addressing specific computing tasks. We describe here the implementation, using a polar molecule in an external electric field, of the single-qudit cyclic permutation identification algorithm proposed by Gedik et al. [Sci.

Liquid-Liquid Transition in a Bose Fluid near Collapse.

Discovering novel emergent behavior in quantum many-body systems is a main objective of contemporary research. In this Letter, we explore the effects on phases and phase transitions of the proximity to a Ruelle-Fisher instability, marking the transition to a collapsed state. To accomplish this, we study by quantum Monte Carlo simulations a two-dimensional system of soft-core bosons interacting through an isotropic finite-ranged attraction, with a parameter η describing its strength.

The Solid Phase of He: A Monte Carlo Simulation Study.

The thermodynamics of solid (hcp) 4He is studied theoretically by means of unbiased Monte Carlo simulations at finite temperature, in a wide range of density. This study complements and extends previous theoretical work, mainly by obtaining results at significantly lower temperatures (down to 60 mK) and for systems of greater size, by including in full the effect of quantum statistics, and by comparing estimates yielded by different pair potentials. All the main thermodynamic properties of the crystal, e.

Superconducting Transition Temperature of the Bose One-Component Plasma.

We present results of numerically exact simulations of the Bose one-component plasma, i.e., a Bose gas with pairwise Coulomb interactions among particles and a uniform neutralizing background.

Tuning the quantumness of simple Bose systems: A universal phase diagram.

We present a comprehensive theoretical study of the phase diagram of a system of many Bose particles interacting with a two-body central potential of the so-called Lennard-Jones form. First-principles path-integral computations are carried out, providing essentially exact numerical results on the thermodynamic properties. The theoretical model used here provides a realistic and remarkably general framework for describing simple Bose systems ranging from crystals to normal fluids to superfluids and gases.

Kinetic energy and momentum distribution of isotopic liquid helium mixtures.

The momentum distribution and atomic kinetic energy of the two isotopes of helium in a liquid mixture at temperature T = 2 K are computed by quantum Monte Carlo simulations. Quantum statistics is fully included for He, whereas He atoms are treated as distinguishable. Comparison of theoretical estimates with a collection of the most recent experimental measurements shows reasonable agreement for the energetics of He and pure He.

Superfluid response of two-dimensional parahydrogen clusters in confinement.

We study by computer simulations the effect of confinement on the superfluid properties of small two-dimensional (2D) parahydrogen clusters. For clusters of fewer than twenty molecules, the superfluid response in the low temperature limit is found to remain comparable in magnitude to that of free clusters, within a rather wide range of depth and size of the confining well. The resilience of the superfluid response is attributable to the "supersolid" character of these clusters.

Coexistence, interfacial energy, and the fate of microemulsions of 2D dipolar bosons.

The superfluid-crystal quantum phase transition of a system of purely repulsive dipolar bosons in two dimensions is studied by quantum Monte Carlo simulations at zero temperature. We determine freezing and melting densities and estimate the energy per unit length of a macroscopic interface separating the two phases. The results rule out the microemulsion scenario for any physical realization of this system, given the exceedingly large predicted size of the bubbles.

Systematics of small parahydrogen clusters in two dimensions.

We studied by means of computer simulations the low temperature properties of two-dimensional parahydrogen clusters comprising between N = 7 and 30 molecules. Computed energetics is in quantitative agreement with that reported in the only previous study [M. C.

Ground state phase diagram of parahydrogen in one dimension.

The low-temperature phase diagram of parahydrogen in one dimension is studied by quantum Monte Carlo simulations, whose results are interpreted within the framework of Luttinger liquid theory. We show that, contrary to what was claimed in a previous study [Phys. Rev.

Quasi-2D liquid 3He.

Quantum Monte Carlo simulations at zero temperature of an ensemble of 3He atoms adsorbed on Mg and Alkali substrates yield strong evidence of a thermodynamically stable liquid 3He monolayer on all Alkali substrates, with the possible exception of Li. The effective two-dimensional density is θ≈0.02  Å-2 on Na, making it the lowest density liquid in nature.

Population size bias in diffusion Monte Carlo.

The size of the population of random walkers required to obtain converged estimates in diffusion Monte Carlo (DMC) increases dramatically with system size. We illustrate this by comparing ground state energies of small clusters of parahydrogen (up to 48 molecules) computed by DMC and path integral ground state (PIGS) techniques. We contend that the bias associated with a finite population of walkers is the most likely cause of quantitative numerical discrepancies between PIGS and DMC energy estimates reported in the literature, for this few-body Bose system.

4He Luttinger liquid in nanopores.

We study the low-temperature properties of a 4He fluid confined in nanopores, using large-scale quantum Monte Carlo simulations with realistic He-He and He-pore interactions. In the narrow-pore limit, the system can be described by the quantum hydrodynamic theory known as Luttinger liquid theory with a large Luttinger parameter, corresponding to the dominance of solid tendencies and strong susceptibility to pinning by a periodic or random potential from the pore walls. On the other hand, for wider pores, the central region appears to behave like a Luttinger liquid with a smaller Luttinger parameter, and may be protected from pinning by the wall potential, offering the possibility of experimental detection of a Luttinger liquid.

Classical and quantum physics of hydrogen clusters.

We present results of a comprehensive theoretical investigation of the low temperature (T) properties of clusters of para-hydrogen (p-H(2)), both pristine as well as doped with isotopic impurities (i.e., ortho-deuterium, o-D(2)).

Local superfluidity of parahydrogen clusters.

We study by quantum Monte Carlo simulations the local superfluid response of small (up to 27 molecules) parahydrogen clusters, down to temperatures as low as 0.05 K. We show that at low temperature superfluidity is not confined at the surface of the clusters, as recently claimed by Khairallah et al.

Superfluidity and quantum melting of p-H2 clusters.

Structural and superfluid properties of p-H2 clusters of size up to N=40 molecules, are studied at low temperature (0.5 K View Article and Find Full Text PDF

Worm algorithm for continuous-space path integral monte carlo simulations.

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 computation of thermodynamic properties, including winding numbers and off-diagonal correlations, for systems of much greater size than that accessible to conventional PIMC simulations. As an illustrative application of the method, we simulate the superfluid transition of 4He in two dimensions.

Superglass phase of 4He.

We study different solid phases of 4He, by means of path integral Monte Carlo simulations based on a recently developed worm algorithm. Our study includes simulations that start off from a high- gas phase, which is then "quenched" down to T = 0.2 K.

Supersolid phase of hard-core bosons on a triangular lattice.

We study properties of the supersolid phase observed for hard-core bosons on the triangular lattice near half-integer filling factor, and the phase diagram of the system at finite temperature. We find that the solid order is always of the (2m, -m, -m) with m changing discontinuously from positive to negative values at half filling, in contrast with phases observed for Ising spins in a transverse magnetic field. At finite temperature we find two intersecting second-order transition lines: one in the 3-state Potts universality class and the other of the Kosterlitz-Thouless type.

Path integral ground state with a fourth-order propagator: application to condensed helium.

Ground state properties of condensed helium are calculated using the path integral ground state (PIGS) method. A fourth-order approximation is used as short (imaginary) time propagator. We compare our results with those obtained with other quantum Monte Carlo (QMC) techniques and different propagators.