arXiv subjects

A. Rios

Publications and source records attributed to A. Rios.

At least 19 recordsLinked to original sources

arXiv2024

Fermionic Neural Networks through the lens of Group Theory

We present an overview of the method of Neural Quantum States applied to the many-body problem of atomic nuclei. Through the lens of group representation theory, we focus on the problem of constructing neural-network ans\"atze that respect physical symmetries. We explicitly prove that determinants, which are among the most common methods to build antisymmetric neural-network wave functions, can be understood as the result of a group convolution. We also identify the reason why this construction is so efficient in practice compared to other group convolutional operations. We conclude that group representation theory is a promising avenue to incorporate explicitly symmetries in Neural Quantum States.

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arXiv2024

Second-order optimisation strategies for neural network quantum states

The Variational Monte Carlo method has recently seen important advances through the use of neural network quantum states. While more and more sophisticated ans\"atze have been designed to tackle a wide variety of quantum many-body problems, modest progress has been made on the associated optimisation algorithms. In this work, we revisit the Kronecker-Factored Approximate Curvature, an optimiser that has been used extensively in a variety of simulations. We suggest improvements on the scaling and the direction of this optimiser, and find that they substantially increase its performance at a negligible additional cost. We also reformulate the Variational Monte Carlo approach in a game theory framework, to propose a novel optimiser based on decision geometry. We find that, on a practical test case for continuous systems, this new optimiser consistently outperforms any of the KFAC improvements in terms of stability, accuracy and speed of convergence. Beyond Variational Monte Carlo, the versatility of this approach suggests that decision geometry could provide a solid foundation for accelerating a broad class of machine learning algorithms.

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arXiv2023

Shape coexistence and superdeformation in $^{28}$Si

We study the shape coexistence of differently deformed states within $^{28}$Si using shell-model and beyond-mean-field techniques. Experimentally, $^{28}$Si exhibits shape coexistence between an oblate ground state and an excited prolate structure. The oblate rotational band is described well within the $sd$ shell using the USDB interaction. However, for the prolate band, a modification of this interaction is required, lowering the single-particle energy of the $1d_{3/2}$ orbit. Furthermore, we explore the possibility of a superdeformed configuration in $^{28}$Si. Our calculations, spanning both the $sd$ and $pf$ shells, rule out the existence of a superdeformed $0^+$ bandhead within an excitation energy range of 10-20 MeV.

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arXiv2023

Quantum entanglement patterns in the structure of atomic nuclei within the nuclear shell model

Quantum entanglement offers a unique perspective into the underlying structure of strongly-correlated systems such as atomic nuclei. In this paper, we use quantum information tools to analyze the structure of light and medium-mass berillyum, oxygen, neon and calcium isotopes within the nuclear shell model. We use different entanglement metrics, including single-orbital entanglement, mutual information, and von Neumann entropies for different equipartitions of the shell-model valence space and identify mode-entanglement patterns related to the energy, angular momentum and isospin of the nuclear single-particle orbitals. We observe that the single-orbital entanglement is directly related to the number of valence nucleons and the energy structure of the shell, while the mutual information highlights signatures of proton-proton and neutron-neutron pairing, as well as nuclear deformation. Proton and neutron orbitals are weakly entangled by all measures, and in fact have the lowest von Neumann entropies among all possible equipartitions of the valence space. In contrast, orbitals with opposite angular momentum projection have relatively large entropies, especially in spherical nuclei. This analysis provides a guide for designing more efficient quantum algorithms for the noisy intermediate-scale quantum era.

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arXiv2023

Machine learning one-dimensional spinless trapped fermionic systems with neural-network quantum states

We compute the ground-state properties of fully polarized, trapped, one-dimensional fermionic systems interacting through a gaussian potential. We use an antisymmetric artificial neural network, or neural quantum state, as an ansatz for the wavefunction and use machine learning techniques to variationally minimize the energy of systems from 2 to 6 particles. We provide extensive benchmarks with other many-body methods, including exact diagonalisation and the Hartree-Fock approximation. The neural quantum state provides the best energies across a wide range of interaction strengths. We find very different ground states depending on the sign of the interaction. In the non-perturbative repulsive regime, the system asymptotically reaches crystalline order. In contrast, the strongly attractive regime shows signs of bosonization. The neural quantum state continuously learns these different phases with an almost constant number of parameters and a very modest increase in computational time with the number of particles.

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arXiv2023

Nuclear shell-model simulation in digital quantum computers

The nuclear shell model is one of the prime many-body methods to study the structure of atomic nuclei, but it is hampered by an exponential scaling on the basis size as the number of particles increases. We present a shell-model quantum circuit design strategy to find nuclear ground states by exploiting an adaptive variational quantum eigensolver algorithm. Our circuit implementation is in excellent agreement with classical shell-model simulations for a dozen of light and medium-mass nuclei, including neon and calcium isotopes. We quantify the circuit depth, width and number of gates to encode realistic shell-model wavefunctions. Our strategy also addresses explicitly energy measurements and the required number of circuits to perform them. Our simulated circuits approach the benchmark results exponentially with a polynomial scaling in quantum resources for each nucleus. This work paves the way for quantum computing shell-model studies across the nuclear chart and our quantum resource quantification may be used in configuration-interaction calculations of other fermionic systems.

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arXiv2022

Many-body approximations to the superfluid gap and critical temperature in pure neutron matter

We compute singlet pairing gaps and critical temperatures in pure neutron matter with different many-body approximations. Medium effects tend to reduce gaps and critical temperatures compared to the standard BCS ansatz. In the mean-field approximation, the ratio of these two quantities remains constant across a wide range of densities. This constant ratio is close to the universal prediction of BCS theory, whether three-neutron interactions are included or not. Using a more sophisticated many-body approach that incorporates the effect of short-range correlations in pairing properties, we find that the gap to critical temperature ratio in the low-density regime is substantially larger than the BCS prediction, independently of the interaction. In this region, our results are relatively close to experiments and theoretical calculations from the unitary Fermi gas. We also find evidence for a different density dependence of zero-temperature gaps and critical temperatures in neutron matter.

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arXiv2021

Nambu-Covariant Many-Body Theory I: Perturbative Approximations

Symmetry-breaking considerations play an important role in allowing reliable and accurate predictions of complex systems in quantum many-body simulations. The general theory of perturbations in symmetry-breaking phases is nonetheless intrinsically more involved than in the unbroken phase due to non-vanishing anomalous Green's functions or anomalous quasiparticle interactions. In the present paper, we develop a formulation of many-body theory at non-zero temperature which is explicitly covariant with respect to a group containing Bogoliubov transformations. Based on the concept of Nambu tensors, we derive a factorisation of standard Feynman diagrams that is valid for a general Hamiltonian. The resulting factorised amplitudes are indexed over the set of un-oriented Feynman diagrams with fully antisymmetric vertices. We argue that, within this framework, the design of symmetry-breaking many-body approximations is simplified.

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arXiv2021

Nambu-Covariant Many-Body Theory II: Self-Consistent Approximations

The theory of Self-Consistent Green's Function (SCGF) is reformulated in an explicit Nambu-covariant fashion for applications to many-body systems at non-zero temperature in symmetry-broken phases. This is achieved by extending the Nambu-covariant formulation of perturbation theory, presented in the first part of this work, to non-perturbative schemes based on self-consistently dressed propagators and vertices. We work out in detail the self-consistent ladder approximation, motivated by a trade-off between numerical complexity and many-body phenomenology. Taking a complex general Hartree-Fock-Bogoliubov (HFB) propagator as a starting point, we also formulate and prove a sufficient condition on the stability of the HFB self-energy to ensure the convergence of the initial series of ladders at any energy. The self-consistent ladder approximation is written purely in terms of spectral functions and the resulting set of equations, when expressed in terms of Nambu tensors, are remarkably similar to those in the symmetry-conserving case. This puts the application of the self-consistent ladder approximation to symmetry-broken phases of infinite nuclear matter within reach.

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arXiv2021

From nuclei to neutron stars: simple binding energy computer modelling in the classroom (part 2)

We introduce two simple online activities to explore the physics of neutron stars. These provide an introduction to the basic properties of compact objects, like their masses and radii, for secondary school students. The first activity explores the idea of the minimum mass of a neutron star. It is directly linked to the concept of binding energy and follows on from our previous activities. The second activity focuses on the maximum mass of neutron stars using a solvable model of the neutron star interior. The activities are based on spreadsheets, provided as Supplementary Material, and can be easily adapted to different levels, age groups and discussion topics. In particular, these activities can naturally lead towards discussions on extrapolations and limits of theoretical models.

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arXiv2021

Nuclear ground states in a consistent implementation of the time-dependent density matrix approach

Background: Time-dependent techniques in nuclear theory often rely on mean-field or Hartree-Fock descriptions. Beyond mean-field dynamical calculations within the time-dependent density matrix (TDDM) theory have often invoked symmetry restrictions and ignored the connection between the mean-field and the induced interaction. Purpose: We study the ground states obtained in a TDDM approach for nuclei from $A=12$ to $A=24$, including examples of even and odd-even nuclei with and without intrinsic deformation. We overcome previous limitations using three-dimensional simulations and employ density-independent Skyrme interactions self-consistently. Methods: The correlated ground states are found starting from the Hartree-Fock solution, by adiabatically including the beyond-mean-field terms in real time. Results: We find that, within this approach, correlations are responsible for $\approx 4-5 \%$ of the total energy. Radii are generally unaffected by the introduction of beyond mean-field correlations. Large nuclear correlation entropies are associated to large correlation energies. By all measures, $^{12}$C is the most correlated isotope in the mass region considered. Conclusions: Our work is the starting point of a consistent implementation of the TDDM technique for applications into nuclear reactions. Our results indicate that correlation effects in structure are small, but beyond-mean-field dynamical simulations could provide new insight into several issues of interest.

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arXiv2020

From nuclei to neutron stars: simple binding energy computer modelling in the classroom (Part 1)

We present a simple activity based on the liquid-drop model which allows secondary school students to explore the uses of mathematical models and gain an intuitive understanding of the concept of binding energy, and in particular the significance of positive binding energy. Using spreadsheets provided as Supplementary Material, students can perform simple manipulations on the different coefficients of the model to understand the role of each of its five terms. Students can use the spreadsheets to determine model parameters by optimising the agreement with real atomic mass data. %This will subsequently be used to predict the limit of existence of the Segr\'e chart and to find the minimum mass of a neutron star. This activity can be used as the starting point of a discussion about theoretical models, their validation when it comes to describing experimental data and their predictive power towards unexplored regimes.

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arXiv2020

Green's functions techniques for extended nuclear systems

I review the application of self-consistent Green's functions methods to study the properties of infinite nuclear systems. Improvements over the last decade, including the consistent treatment of three-nucleon forces and the development of extrapolation methods from finite to zero temperature, have allowed for realistic predictions of the equation of state of infinite symmetric, asymmetric and neutron matter based on chiral interactions. Microscopic properties, like momentum distributions or spectral functions, are also accessible. Using an indicative set of results based on a subset of chiral interactions, I summarise here the first-principles description of infinite nuclear system provided by Green's functions techniques, in the context of several issues of relevance for nuclear theory including, but not limited to, the role of short-range correlations in nuclear systems, nuclear phase transitions and the isospin dependence of nuclear observables.

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arXiv2020

Reexamining the relation between the binding energy of finite nuclei and the equation of state of infinite nuclear matter

The energy density is calculated in coordinate space for $^{12}$C, $^{40}$Ca, $^{48}$Ca, and $^{208}$Pb using a dispersive optical model constrained by all relevant data including the corresponding energy of the ground state. The energy density of $^{8}$Be is also calculated using the Green's function Monte-Carlo method employing the Argonne/Urbana two and three-body interactions. The nuclear interior minimally contributes to the total binding energy due to the 4$\pi r^2$ phase space factor. Thus, the volume contribution to the energy in the interior is not well constrained. The dispersive-optical-model energy densities are in good agreement with \textit{ab initio} self-consistent Green's function calculations of infinite nuclear matter restricted to treat only short-range and tensor correlations. These results call into question the degree to which the equation of state for nuclear matter is constrained by the empirical mass formula. In particular, the results in this paper indicate that saturated nuclear matter does not require the canonical value of 16 MeV binding per particle but only about 13-14 MeV when the interior of $^{208}$Pb is considered.

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arXiv2019

Machine learning the deuteron

We use machine learning techniques to solve the nuclear two-body bound state problem, the deuteron. We use a minimal one-layer, feed-forward neural network to represent the deuteron S- and D-state wavefunction in momentum space, and solve the problem variationally using ready-made machine learning tools. We benchmark our results with exact diagonalisation solutions. We find that a network with 6 hidden nodes (or 24 parameters) can provide a faithful representation of the ground state wavefunction, with a binding energy that is within 0.1% of exact results. This exploratory proof-of-principle simulation may provide insight for future potential solutions of the nuclear many-body problem using variational artificial neural network techniques.

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arXiv2017

Higher-order symmetry energy and neutron star core-crust transition with Gogny forces

We study the symmetry energy and the core-crust transition in neutron stars using the finite-range Gogny nuclear interaction and examine the deduced crustal thickness and crustal moment of inertia. We start by analyzing the second-, fourth- and sixth-order coefficients of the Taylor expansion of the energy per particle in powers of the isospin asymmetry for Gogny forces. These coefficients provide information about the departure of the symmetry energy from the widely used parabolic law. The neutron star core-crust transition is evaluated by looking at the onset of thermodynamical instability of the liquid core. The calculation is performed with the exact (i.e., without Taylor expansion) Gogny EoS for the core, and also with its Taylor expansion in order to assess the influence of isospin expansions on locating the inner edge of neutron star crusts. It is found that the properties of the core-crust transition derived from the exact EoS differ from the predictions of the Taylor expansion even when the expansion is carried through sixth order in the isospin asymmetry. Gogny forces, using the exact EoS, predict the ranges $0.094 \text{ fm}^{-3} \lesssim ρ_t \lesssim 0.118\text{ fm}^{-3}$ for the transition density and $0.339 \text{ MeV fm}^{-3} \lesssim P_t \lesssim 0.665 \text{ MeV fm}^{-3}$ for the transition pressure. The transition densities show an anticorrelation with the slope parameter $L$ of the symmetry energy. The transition pressures are not found to correlate with $L$. Neutron stars obtained with Gogny forces have maximum masses below $1.74M_\odot$ and relatively small moments of inertia. The crustal mass and moment of inertia are evaluated and comparisons are made with the constraints from observed glitches in pulsars.

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arXiv2017

Pairing and short-range correlations in nuclear systems

The structure and density dependence of the pairing gap in infinite matter is relevant for astrophysical phenomena and provides a starting point for the discussion of pairing properties in nuclear structure. Short-range correlations can significantly deplete the available single-particle strength around the Fermi surface and thus provide a reduction mechanism of the pairing gap. Here, we study this effect in the singlet and triplet channels of both neutron matter and symmetric nuclear matter. Our calculations use phase-shift equivalent interactions and chiral two-body and three-body interactions as a starting point. We find an unambiguous reduction of the gap in all channels with very small dependence on the NN force in the singlet neutron matter and the triplet nuclear matter channel. In the latter channel, short range correlations alone provide a 50% reduction of the pairing gap.

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arXiv2017

Correlations within the Non-Equilibrium Green's Function Method

Non-equilibrium Green's Function (NGF) method is a powerful tool for studying the evolution of quantum many-body systems. Different types of correlations can be systematically incorporated within the formalism. The time evolution of the single-particle Green's functions is described in terms of the Kadanoff-Baym equations. The current work initially focuses on introducing the correlations within infinite nuclear matter in one dimension and then in a finite system in the NGF approach. Starting from the harmonic oscillator Hamiltonian, by switching on adiabatically the mean-field and correlations simultaneously, a correlated state with ground-state characteristics is arrived at within the NGF method. Furthermore the use of cooling to for improving the adiabatic switching is explored.

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