arXiv subjects

F. Mazzanti

Publications and source records attributed to F. Mazzanti.

At least 19 recordsLinked to original sources

arXiv2024

Mean field initialization of the Annealed Importance Sampling algorithm for an efficient evaluation of the Partition Function of Restricted Boltzmann Machines

Probabilistic models in physics often require from the evaluation of normalized Boltzmann factors, which in turn implies the computation of the partition function Z. Getting the exact value of Z, though, becomes a forbiddingly expensive task as the system size increases. This problem is also present in probabilistic learning models such as the Restricted Boltzmann Machine (RBM), where the situation is even worse as the exact learning rules implies the computation of Z at each iteration. A possible way to tackle this problem is to use the Annealed Importance Sampling (AIS) algorithm, which provides a tool to stochastically estimate the partition function of the system. So far, the standard application of the AIS algorithm starts from the uniform probability distribution and uses a large number of Monte Carlo steps to obtain reliable estimations of Z following an annealing process. In this work we show that both the quality of the estimation and the cost of the computation can be significantly improved by using a properly selected mean-field starting probability distribution. We perform a systematic analysis of AIS in both small- and large-sized problems, and compare the results to exact values in problems where these are known. As a result of our systematic analysis, we propose two successful strategies that work well in all the problems analyzed. We conclude that these are good starting points to estimate the partition function with AIS with a relatively low computational cost.

physics.comp-ph↗

arXiv2024

Off-diagonal long-range order in arrays of dipolar droplets

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 computationally accessible domain we characterize that evolution in qualitative agreement with experiments. Our microscopic approach generates ground-state results free from approximations, albeit with some controlled statistical noise. The simultaneous estimation of the static structure factor and the one-body density matrix allows for a better knowledge of the quantum coherence between droplets. Our results show a narrow window of interaction strengths where diagonal and off-diagonal long-range order can coexist. This domain, which is the key signal of a supersolid state, is reduced with respect to the one predicted by the extended Gross-Pitaevskii equation. Differences are probably due to an increase of attraction in our model, observed previously in the calculation of critical atom numbers for single dipolar drops.

cond-mat.quant-gas↗

arXiv2022

Universal Properties of Anisotropic Dipolar Bosons in Two Dimensions

The energy of ultra-dilute quantum many-body systems is known to exhibit a universal dependence on the gas parameter $x=n a_0^d$, with $n$ the density, $d$ the dimensionality of the space ($d=1,2,3$) and $a_0$ the $s$-wave scattering length. The universal regime typically extends up to $x\approx 0.001$, while at larger values specific details of the interaction start to be relevant and different model potentials lead to different results. Dipolar systems are peculiar in this regard since the anisotropy of the interaction makes $a_0$ depend on the polarization angle $α$, so different combinations of $n$ and $α$ can lead to the same value of the gas parameter $x$. In this work we analyze the scaling properties of dipolar bosons in two dimensions as a function of the density and polarization dependent scattering length up to very large values of the gas parameter $x$. Using Quantum Monte Carlo (QMC) methods we study the energy and the main structural and coherence properties of the ground state of a gas of dipolar bosons by varying the density and scattering length for fixed gas parameter. We find that the dipolar interaction shows relevant scaling laws up to unusually large values of $x$ that hold almost to the boundaries in the phase diagram where a transition to a stripe phase takes place.

cond-mat.quant-gas↗

arXiv2021

Nucleation of helium in liquid lithium

Fusion energy stands out as a promising alternative for a future decarbonised energy system. To be sustainable, future fusion nuclear reactors will have to produce their own tritium. In the so-called breeding blanket of a reactor, the neutron bombardment of lithium will produce the desired tritium, but also helium, which can trigger nucleation mechanisms owing to the very low solubility of helium in liquid metals. An understanding of the underlying microscopic processes is important for improving the efficiency, sustainability and reliability of the fusion energy conversion process. A spontaneous creation of helium drops or bubbles in the liquid metal used as breeding material in some designs may be a serious issue for the performance of the breeding blankets. This phenomenon has yet to be fully studied and understood. This work aims to provide some insight on the behavior of lithium and helium mixtures at experimentally corresponding operating conditions (843 K and pressures between 0.1 and 7 GPa). We report a microscopic study of the thermodynamic, structural and dynamical properties of lithium-helium mixtures, as a first step to the simulation of the environment in a nuclear fusion power plant. We introduce a microscopic model devised to describe the formation of helium drops in the thermodynamic range considered. A transition from a miscible homogeneous mixture to a phase-separated one, in which helium drops are nucleated, is observed as the pressure is increased above 0.175 GPa. The diffusion coefficient of lithium (2 Å 2 /ps) is in excellent agreement with reference experimental data, whereas the diffusion coefficient of helium is in the range of 1 Å 2 /ps and tends to decrease as pressure increases. The radii of helium drops have been found to be between 1 and 2 Å.

cond-mat.other↗

arXiv2020

Supersolid Striped Droplets in a Raman Spin-Orbit-Coupled System

We analyze the role played by quantum fluctuations on a Raman Spin-Orbit Coupled system in the stripe phase. We show that beyond mean-field effects stabilize the collapse predicted by mean-field theory and induce the emergence of two phases: a gas and a liquid, which also show spatial periodicity along a privileged direction. We show that the energetically favored phase is determined by the Raman coupling and the spin-dependent scattering lengths. We obtain the ground-state solution of the finite system by solving the extended Gross-Pitaevskii equation and find self-bound, droplet-like solutions that feature internal structure through a striped pattern. We estimate the critical number for binding associated to these droplets and show that their value is experimentally accessible. We report an approximate energy functional in order to ease the evaluation of the Lee-Huang-Yang correction in practical terms.

cond-mat.quant-gas↗

arXiv2018

Diffusion Monte Carlo methods for Spin-Orbit-Coupled ultracold Bose gases

We present two Diffusion Monte Carlo (DMC) algorithms for systems of ultracold quantum gases featuring synthetic spin-orbit interactions. The first one is a discrete spin generalization of the T- moves spin-orbit DMC, which provides an upper bound to the fixed-phase energy. The second is a spin-integrated DMC method which recovers the fixed-phase property by avoiding the definition of the effective Hamiltonian involved in the T-moves approach. The latter is a more accurate method but it is restricted to spin-independent two-body interactions. We report a comparison between both algorithms for different systems. As a check of the efficiency of both methods, we compare the DMC energies with results obtained with other numerical methods, finding agreement between both estimation

cond-mat.quant-gas↗

arXiv2017

Dipolar Bose Superstripes

We study the superfluid properties of a system of fully polarized dipolar bosons moving in the $xy$ plane. We focus on the general case where the polarization field forms an arbitrary angle $α$ with respect to the $z$ axis, while the system is still stable. We use the diffusion Monte Carlo and the path integral ground state methods to evaluate the one-body density matrix and the superfluid fractions in the region of the phase diagram where the system forms stripes. Despite its oscillatory behavior, the presence of a finite large-distance asymptotic value in the $s$-wave component of the one-body density matrix indicates the existence of a Bose condensate. The superfluid fraction along the stripes direction is always close to 1, while in the $y$ direction decreases to a small value that is nevertheless different from zero. These two facts confirms that the stripe phase of the dipolar Bose gas in 2D is superfluid.

cond-mat.quant-gas↗

arXiv2016

Gapped spectrum in pair-superfluid bosons

We study the ground state of a bilayer system of dipolar bosons with dipoles oriented by an external field perpendicularly to the two parallel planes. By decreasing the interlayer distance, for a fixed value of the strength of the dipolar interaction, the system undergoes a quantum phase transition from an atomic to a pair superfluid. We investigate the excitation spectrum across this transition by using microscopic approaches. Quantum Monte Carlo methods are employed to obtain the static structure factors and intermediate scattering functions in imaginary time. The dynamic response is calculated using both the correlated basis functions (CBF) method and the approximate inversion of the Laplace transform of the quantum Monte Carlo imaginary time data. In the atomic phase, both density and spin excitations are gapless. However, in the pair-superfluid phase a gap opens in the excitation energy of the spin mode. For small separation between layers, the minimal spin excitation energy equals the binding energy of a dimer and is twice the gap value.

cond-mat.quant-gas↗

arXiv2016

Droplets of trapped quantum dipolar bosons

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 interaction parameters leading to stable ground- state configurations of droplets in a crystalline arrangement. We find that this effect is entirely due to the interaction present in the Hamiltonian without resorting to additional stabilizing mechanisms or specific three-body forces. We analyze the number of droplets formed in terms of the Hamiltonian parameters, relate them to the corresponding s-wave scattering length, and discuss a simple scaling model for the density profiles. Our results are in qualitative agreement with recent experiments showing a quantum Rosensweig instability in trapped Dy atoms.

cond-mat.quant-gas↗

arXiv2015

A Neighbourhood-Based Stopping Criterion for Contrastive Divergence Learning

Restricted Boltzmann Machines (RBMs) are general unsupervised learning devices to ascertain generative models of data distributions. RBMs are often trained using the Contrastive Divergence learning algorithm (CD), an approximation to the gradient of the data log-likelihood. A simple reconstruction error is often used as a stopping criterion for CD, although several authors \cite{schulz-et-al-Convergence-Contrastive-Divergence-2010-NIPSw, fischer-igel-Divergence-Contrastive-Divergence-2010-ICANN} have raised doubts concerning the feasibility of this procedure. In many cases the evolution curve of the reconstruction error is monotonic while the log-likelihood is not, thus indicating that the former is not a good estimator of the optimal stopping point for learning. However, not many alternatives to the reconstruction error have been discussed in the literature. In this manuscript we investigate simple alternatives to the reconstruction error, based on the inclusion of information contained in neighboring states to the training set, as a stopping criterion for CD learning.

cs.NE↗

arXiv2014

Single-particle vs. pair superfluidity in a bilayer system of dipolar bosons

We consider the ground state of a bilayer system of dipolar bosons, where dipoles are oriented by an external field in the direction perpendicular to the parallel planes. Quantum Monte Carlo methods are used to calculate the ground-state energy, the one-body and two-body density matrix, and the superfluid response as a function of the separation between layers. We find that by decreasing the interlayer distance for fixed value of the strength of the dipolar interaction, the system undergoes a quantum phase transition from a single-particle to a pair superfluid. The single-particle superfluid is characterized by a finite value of both the atomic condensate and the super-counterfluid density. The pair superfluid phase is found to be stable against formation of many-body cluster states and features a gap in the spectrum of elementary excitations.

cond-mat.quant-gas↗

arXiv2014

Phase diagram of dipolar bosons in 2D with tilted polarization

We analyze the ground state of a system of dipolar bosons moving in the $XY$ plane and such that their dipolar moments are all aligned in a fixed direction in space. We focus on the general case where the polarization field forms a generic angle $α$ with respect to the $Z$ axis. We use the Path Integral Ground State method to analyze the static properties of the system as both $α$ and the density $n$ vary over a wide range were the system is stable. We use the maximum of the static structure function as an order parameter to characterize the different phases and the transition lines among them. We find that aside of a superfluid gas and a solid phase, the system reaches a stripe phase at large tilting angles that is entirely induced by the anisotropic character of the interaction. We also show that the quantum phase transition from the gas to the stripe phase is of second order, and report approximate values for the critical exponents.

cond-mat.quant-gas↗

arXiv2012

Ground state properties and excitation spectrum of a two dimensional gas of bosonic dipoles

We present a quantum Monte Carlo study of two-dimensional dipolar Bose gases in the limit of zero temperature. The analysis is mainly focused on the anisotropy effects induced in the homogeneous gas when the polarization angle with respect to the plane is changed. We restrict our study to the regime where the dipolar interaction is strictly repulsive, although the strength of the pair repulsion depends on the vector interparticle distance. Our results show that the effect of the anisotropy in the energy per particle scales with the gas parameter at low densities as expected, and that this scaling is preserved for all polarization angles even at the largest densities considered here. We also evaluate the excitation spectrum of the dipolar Bose gas in the context of the Feynman approximation and compare the results obtained with the Bogoliubov ones. As expected, we find that these two approximations agree at very low densities, while they start to deviate from each other as the density increases. For the largest densities studied, we observe a significant influence of the anisotropy of the dipole-dipole interaction in the excitation spectrum.

cond-mat.quant-gas↗

arXiv2012

Zero-temperature phase diagram of Yukawa bosons

We study the zero-temperature phase diagram of bosons interacting via screened Coulomb (Yukawa) potential by means of the diffusion Monte Carlo method. The Yukawa potential is used as a model interaction in the neutron matter, dusty plasmas and charged colloids. As shown by D. S. Petrov et al. [Phys. Rev. Lett. 99, 130407 (2007)], interactions between weakly bound molecules of heavy and light fermionic atoms are described by an effective Yukawa potential with a strength related to the heavy-light mass ratio M/m which might lead to crystallization in a two-dimensional geometry if the mass ratio of heavy-light fermions exceeds a certain critical value. In the present work we do a thorough study of the quantum three-dimensional Yukawa system. For strong interactions (equivalently, large mass ratios) the system experiences several phase transitions as the density is increased, passing from gas to solid and to gas phase again. Weakly interacting Yukawa particles do not crystallize at any density. We find the minimal interaction strength at which the crystallization happens. In terms of the two-component fermionic system, this strength corresponds to a heavy-light mass ratio of M/m ~ 180, so that it is impossible to realize the gas-crystal transition in a conventional bulk system. For the Yukawa model of fermionic mixtures we also analyze the possibility of building molecular systems with very large effective mass ratios by confining the heavy component to a sufficiently deep optical lattice. We show how the effective mass of the heavy component can be made arbitrarily large by increasing the lattice depth, thus leading to a tunable effective mass ratio that can be used to realize a molecular superlattice.

cond-mat.quant-gas↗

arXiv2012

Ferromagnetic transition of a two-component Fermi gas of Hard Spheres

We use microscopic many-body theory to analyze the problem of itinerant ferromagnetism in a repulsive atomic Fermi gas of Hard Spheres. Using simple arguments, we show that the available theoretical predictions for the onset of the ferromagnetic transition predict a transition point at a density ($k_F a \sim 1$) that is too large to be compatible with the universal low-density expansion of the energy. We present new variational calculations for the hard-sphere Fermi gas, in the framework of Fermi hypperneted chain theory, that shift the transition to higher densities ($k_F a \sim 1.8$). Backflow correlations, which are mainly active in the unpolarized system, are essential for this shift.

cond-mat.quant-gas↗

arXiv2011

Microscopic description of anisotropic low-density dipolar Bose gases in two dimensions

A microscopic description of the zero energy two-body ground state and many-body static properties of anisotropic homogeneous gases of bosonic dipoles in two dimensions at low densities is presented and discussed. By changing the polarization angle with respect to the plane, we study the impact of the anisotropy, present in the dipole--dipole interaction, on the energy per particle, comparing the results with mean field predictions. We restrict the analysis to the regime where the interaction is always repulsive, although the strength of the repulsion depends on the orientation with respect to the polarization field. We present a series expansion of the solution of the zero energy two-body problem which allows us to find the scattering length of the interaction and to build a suitable Jastrow factor that we use as a trial wave function for both a variational and diffusion Monte Carlo simulation of the infinite system. We find that the anisotropy has an almost negligible impact on the ground state properties of the many-body system in the universal regime where the scattering length governs the physics of the system. We also show that scaling in the gas parameter persists in the dipolar case up to values where other isotropic interactions with the same scattering length yield different predictions.

cond-mat.quant-gas↗

arXiv2009

Elementary Excitations in Bose-Einstein Condensates at Large Scattering Lengths

We present a theoretical analysis of excitation modes in Bose-Einstein condensates in ultracold alkali-metal gases for large scattering lengths and momenta where corrections to the mean field approximation become important. We assume that the effective interaction in the metastable, single channel, gaseous phase has a well defined Fourier transform that scales with the scattering length. Based on this we show that for increasing scattering lengths or equivalently increasing densities the system becomes less correlated and that at large values of the scattering length Bragg scattering measures directly the Fourier transform of the effective two-body potential. We construct model potentials which fit the recently measured line shifts in $^{85}$Rb by Papp et al. (Phys. Rev. Lett. {\bf 101}, 135301 (2008)), and show that they fix the low momentum expansion of the effective range function. We find excellent agreement with the experimental data when the effective range is $\ll 1$ and the coefficient of the $k^4$-term is $-7.5 \pm 0.5$ in scattering length units. The resolution in Bragg scattering experiments so far does not reveal details of the frequency dependence in the dynamic structure function $S(k,ω)$ and we show that the Feynman spectrum determines the measured line shifts. We propose the possibility of a transition to a novel density wave state.

cond-mat.quant-gas↗

arXiv2009

Low-dimensional weakly interacting Bose gases: non-universal equations of state

The zero-temperature equation of state is analyzed in low-dimensional bosonic systems. In the dilute regime the equation of state is universal in terms of the gas parameter, i.e. it is the same for different potentials with the same value of the s-wave scattering length. Series expansions of the universal equation of state are reported for one- and two- dimensional systems. We propose to use the concept of energy-dependent s-wave scattering length for obtaining estimations of non-universal terms in the energy expansion. We test this approach by making a comparison to exactly solvable one-dimensional problems and find that the generated terms have the correct structure. The applicability to two-dimensional systems is analyzed by comparing with results of Monte Carlo simulations. The prediction for the non-universal behavior is qualitatively correct and the densities, at which the deviations from the universal equation of state become visible, are estimated properly. Finally, the possibility of observing the non-universal terms in experiments with trapped gases is also discussed.

cond-mat.quant-gas↗