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Bosonic quantum devices offer a novel approach to realize quantum computations, where the quantum two-level system (qubit) is replaced with the quantum (an)harmonic oscillator (qumode) as the fundamental building block of the quantum simulator. The simulation of chemical structure and dynamics can then be achieved by representing or mapping the system Hamiltonians in terms of bosonic operators. In this perspective, we review recent progress and future potential of using bosonic quantum devices for addressing a wide range of challenging chemical problems, including the calculation of molecular vibronic spectra, the simulation of gas-phase and solution-phase adiabatic and nonadiabatic chemical dynamics, the efficient solution of molecular graph theory problems, and the calculations of electronic structure., Comment: 40 pages including references, 13 figures, revised

PDDSparse is a new hybrid parallelisation scheme for solving large-scale elliptic boundary value problems on supercomputers, which can be described as a Feynman-Kac formula for domain decomposition. At its core lies a stochastic linear, sparse system for the solutions on the interfaces, whose entries are generated via Monte Carlo simulations. Assuming small statistical errors, we show that the random system matrix ${\tilde G}(\omega)$ is near a nonsingular M-matrix $G$, i.e. ${\tilde G}(\omega)+E=G$ where $||E||/||G||$ is small. Using nonstandard arguments, we bound $||G^{-1}||$ and the condition number of $G$, showing that both of them grow moderately with the degrees of freedom of the discretisation. Moreover, the truncated Neumann series of $G^{-1}$ -- which is straightforward to calculate -- is the basis for an excellent preconditioner for ${\tilde G}(\omega)$. These findings are supported by numerical evidence.

In a recent paper [{\em F. Bernal, J. Mor\'on-Vidal and J.A. Acebr\'on, Comp.$\&$ Math. App. 146:294-308 (2023)}] an hybrid supercomputing algorithm for elliptic equations has been put forward. The idea is that the interfacial nodal solutions solve a linear system, whose coefficients are expectations of functionals of stochastic differential equations confined within patches of about subdomain size. Compared to standard substructuring techniques such as the Schur complement method for the skeleton, the hybrid approach renders an explicit and sparse shrunken matrix -- hence suitable for being substructured again. The ultimate goal is to push strong scalability beyond the state of the art, by leveraging the scope for parallelisation of stochastic calculus. Here, we present a major revamping of that framework, based on the insight of embedding the domain in a cover of overlapping circles (in two dimensions). This allows for efficient Fourier interpolation along the interfaces (now circumferences) and -- crucially -- for the evaluation of most of the interfacial system entries as the solution of small boundary value problems on a circle. This is both extremely efficient (as they can be solved in parallel and by the pseudospectral method) and free of Monte Carlo error. Stochastic numerics are only needed on the relatively few circles intersecting the domain boundary. In sum, the new formulation is significantly faster, simpler and more accurate, while retaining all of the advantageous properties of PDDSparse. Numerical experiments are included for the purpose of illustration.

Kerr parametric oscillators are potential building blocks for fault-tolerant quantum computers. They can stabilize Kerr-cat qubits, which offer advantages toward the encoding and manipulation of error-protected quantum information. The recent realization of Kerr-cat qubits made use of the nonlinearity of the SNAIL transmon superconducting circuit and a squeezing drive. Increasing nonlinearities can enable faster gate times, but, as shown here, can also induce chaos and melt the qubit away. We determine the region of validity of the Kerr-cat qubit and discuss how its disintegration could be experimentally detected. The danger zone for parametric quantum computation is also a potential playground for investigating quantum chaos with driven superconducting circuits., Comment: 15 pages, 5 figures

We study the symmetries of the static effective Hamiltonian of a driven superconducting nonlinear oscillator, the so-called squeeze-driven Kerr Hamiltonian, and discover a remarkable quasi-spin symmetry $su(2)$ at integer values of the ratio $\eta=\Delta /K$ of the detuning parameter $\Delta $ to the Kerr coefficient $K$. We investigate the stability of this newly discovered symmetry to high-order perturbations arising from the static effective expansion of the driven Hamiltonian. Our finding may find applications in the generation and stabilization of states useful for quantum computing. Finally, we discuss other Hamiltonians with similar properties and within reach of current technologies., Comment: 19 pages, 14 figures

The complex Helmholtz equation $(\Delta + k^2)u=f$ (where $k\in{\mathbb R},u(\cdot),f(\cdot)\in{\mathbb C}$) is a mainstay of computational wave simulation. Despite its apparent simplicity, efficient numerical methods are challenging to design and, in some applications, regarded as an open problem. Two sources of difficulty are the large number of degrees of freedom and the indefiniteness of the matrices arising after discretisation. Seeking to meet them within the novel framework of probabilistic domain decomposition, we set out to rewrite the Helmholtz equation into a form amenable to the Feynman-Kac formula for elliptic boundary value problems. We consider two typical scenarios, the scattering of a plane wave and the propagation inside a cavity, and recast them as a sequence of Poisson equations. By means of stochastic arguments, we find a sufficient and simulatable condition for the convergence of the iterations. Upon discretisation a necessary condition for convergence can be derived by adding up the iterates using the harmonic series for the matrix inverse -- we illustrate the procedure in the case of finite differences. From a practical point of view, our results are ultimately of limited scope. Nonetheless, this unexpected -- even paradoxical -- new direction of attack on the Helmholtz equation proposed by this work offers a fresh perspective on this classical and difficult problem. Our results show that there indeed exists a predictable range $k

The quasi-energy spectrum recently measured in experiments with a squeeze-driven superconducting Kerr oscillator showed good agreement with the energy spectrum of its corresponding static effective Hamiltonian. The experiments also demonstrated that the dynamics of low-energy states can be explained with the same emergent static effective model. The spectrum exhibits real (avoided) level crossings for specific values of the Hamiltonian parameters, which can then be chosen to suppress (enhance) quantum tunneling. Here, we analyze the spectrum and the dynamics of the effective model up to high energies, which should soon be within experimental reach. We show that the parameters values for the crossings, which can be obtained from a semiclassical approach, can also be identified directly from the dynamics. Our analysis of quantum tunneling is done with the effective flux of the Husimi volume of the evolved states between different regions of the phase space. Both initial coherent states and quench dynamics are considered. We argue that the level crossings and their consequences to the dynamics are typical to any quantum system with one degree of freedom, whose density of states presents a local logarithmic divergence and a local step discontinuity., Comment: 13 pages, 8 figures

A methodology is presented for the numerical solution of nonlinear elliptic systems in unbounded domains, consisting of three elements. First, the problem is posed on a finite domain by means of a proper nonlinear change of variables. The compressed domain is then discretised, regardless of its final shape, via the radial basis function partition of unity method. Finally, the system of nonlinear algebraic collocation equations is solved with the trust-region algorithm, taking advantage of analytically derived Jacobians. We validate the methodology on a benchmark of computational fluid mechanics: the steady viscous flow past a circular cylinder. The resulting flow characteristics compare very well with the literature. Then, we stress-test the methodology on less smooth obstacles - rounded and sharp square cylinders. As expected, in the latter scenario the solution is polluted by spurious oscillations, owing to the presence of boundary singularities.

State of the art domain decomposition algorithms for large-scale boundary value problems (with $M\gg 1$ degrees of freedom) suffer from bounded strong scalability because they involve the synchronisation and communication of workers inherent to iterative linear algebra. Here, we introduce PDDSparse, a different approach to scientific supercomputing which relies on a "Feynman-Kac formula for domain decomposition". Concretely, the interfacial values (only) are determined by a stochastic, highly sparse linear system $G(\omega){\vec u}={\vec b}(\omega)$ of size ${\cal O}(\sqrt{M})$, whose coefficients are constructed with Monte Carlo simulations-hence embarrassingly in parallel. In addition to a wider scope for strong scalability in the deep supercomputing regime, PDDSparse has built-in fault tolerance and is ideally suited for GPUs. A proof of concept example with up to 1536 cores is discussed in detail.

Transmon qubits are the predominant element in circuit-based quantum information processing, such as existing quantum computers, due to their controllability and ease of engineering implementation. But more than qubits, transmons are multilevel nonlinear oscillators that can be used to investigate fundamental physics questions. Here, they are explored as simulators of excited state quantum phase transitions (ESQPTs), which are generalizations of quantum phase transitions to excited states. We show that the spectral kissing (coalescence of pairs of energy levels) experimentally observed in the effective Hamiltonian of a driven SNAIL-transmon is an ESQPT precursor. We explore the dynamical consequences of the ESQPT, which include the exponential growth of out-of-time-ordered correlators, followed by periodic revivals, and the slow evolution of the survival probability due to localization. These signatures of ESQPT are within reach for current superconducting circuits platforms and are of interest to experiments with cold atoms and ion traps., Comment: 18 pages, 7 figures

We use the multiple quantum coherence (MQC) spectrum to explore the effect of excited-state quantum phase transition (ESQPT) on the quantum coherence in the Lipkin-Meshkov-Glick (LMG) model--a paradigmatic model in the studies of ESQPTs. MQC spectrum is calculated with respect to a given reference basis and applied to both evolved and long time averaged states. We show that the MQC spectrum undergoes an abrupt change as the system passes through ESQPT, indicating a strong impact of ESQPT on quantum coherences. We further discuss the ability of zero mode of MQC spectrum to probe the presence of ESQPT and verify that it behaves as a realiable indicator of ESQPT. In addition, we perform an investigation on the behavior of MQC spectrum width. We find that the MQC spectrum widths for the evolved and long time averaged states are act as good ESQPT witnesses. Our results provide further evidence to confirm the usefulness of the MQC spectrum for diagnosing different types of phase transitions in many-body quantum systems., Comment: Corrected several typos; new references have been added

The standard Lipkin-Meshkov-Glick (LMG) model undergoes a second-order ground-state quantum phase transition (QPT) and an excited-state quantum phase transition (ESQPT). The inclusion of an anharmonic term in the LMG Hamiltonian gives rise to a second ESQPT that alters the static properties of the model [Phys. Rev. E 106, 044125 (2022)]. In the present work, the dynamical implications associated to this new ESQPT are analyzed. For that purpose, a quantum quench protocol is defined on the system Hamiltonian that takes an initial state, usually the ground state, into a complex excited state that evolves on time. The impact of the new ESQPT on the time evolution of the survival probability and the local density of states after the quantum quench, as well as on the Loschmidt echoes and the microcanonical out-of-time-order correlator (OTOC) are discussed. The anharmonity-induced ESQPT, despite having a different physical origin, has dynamical consequences similar to those observed in the ESQPT already present in the standard LMG model.

The basic Lipkin-Meshkov-Glick model displays a second order ground state quantum phase transition and an excited state quantum phase transition (ESQPT). The inclusion of an anharmonic term in the Hamiltonian implies a second ESQPT of a different nature. We characterize this ESQPT using the mean field limit of the model. The new ESQPT, associated with the changes in the boundary of the finite Hilbert space of the system, can be properly described using the order parameter of the ground state quantum phase transition, the energy gap between adjacent states, the participation ratio, and the quantum fidelity susceptibility.

We study a model of a quantum collective spin weakly coupled to a spin-polarized Markovian environment and find that the spectrum is divided into two regions that we name normal and exceptional Liouvillian spectral phases. In the thermodynamic limit, the exceptional spectral phase displays the unique property of being made up exclusively of second order exceptional points. As a consequence, the evolution of any initial density matrix populating this region is slowed down and cannot be described by a linear combination of exponential decays. This phase is separated from the normal one by a critical line in which the density of Liouvillian eigenvalues diverges, a phenomenon analogous to that of excited-state quantum phase transitions observed in some closed quantum systems. In the limit of no bath polarization, this criticality is transferred onto the steady state, implying a dissipative quantum phase transition and the formation of a boundary time crystal., Comment: 5 pages, 4 figures; Letter in Phys. Rev. A

In most cases, excited state quantum phase transitions can be associated with the existence of critical points (local extrema or saddle points) in a system's classical limit energy functional. However, an excited-state quantum phase transition might also stem from the lowering of the asymptotic energy of the corresponding energy functional. One such example occurs in the 2D limit of the vibron model, once an anharmonic term in the form of a quadratic bosonic number operator is added to the Hamiltonian. The study of this case in the broken-symmetry phase was presented in Phys. Rev. A. 81 050101 (2010). In the present work, we delve further into the nature of this excited-state quantum phase transition and we characterize it in the, previously overlooked, symmetric phase of the model making use of quantities such as the effective frequency, the expected value of the quantum number operator, the participation ratio, the density of states, and the quantum fidelity susceptibility. In addition to this, we extend the usage of the quasilinearity parameter, introduced in molecular physics, to characterize the phases in the spectrum of the anharmonic 2D limit of the vibron model and a down-to-earth analysis has been included with the characterization of the critical energies for the linear isomers HCN/HNC.

Isolated many-body quantum systems quenched far from equilibrium can eventually equilibrate, but it is not yet clear how long they take to do so. To answer this question, we use exact numerical methods and analyze the entire evolution, from perturbation to equilibration, of a paradigmatic disordered many-body quantum system in the chaotic regime. We investigate how the equilibration time depends on the system size and observables. We show that if dynamical manifestations of spectral correlations in the form of the correlation hole ("ramp") are taken into account, the time for equilibration scales exponentially with system size, while if they are neglected, the scaling is better described by a power law with system size, though with an exponent larger than what is expected for diffusive transport., Comment: Journal version; 10 pages, 4 figures

Using the Husimi function, we investigate the phase space signatures of the excited state quantum phase transitions (ESQPTs) in the Lipkin and coupled top models. We show that the time evolution of the Husimi function exhibits distinct behaviors between the different phases of an ESQPT and the presence of an ESQPT is signaled by the particular dynamics of the Husimi function. We also evaluate the long time averaged Husimi function and its associated marginal distributions, and discuss how to identify the signatures of ESQPT from their properties. Moreover, by exploiting the second moment and Wherl entropy of the long-time averaged Husimi function, we estimate the critical points of ESQPTs, demonstrating a good agreement with the analytical results. We thus provide further evidence that the phase space methods is a valuable tool for the studies of phase transitions and also open a new way to detect ESQPTs., Comment: 12 pages, 9 figures

Using the diagonal entropy, we analyze the dynamical signatures of the Lipkin-Meshkov-Glick (LMG) model excited-state quantum phase transition (ESQPT). We first show that the time evolution of the diagonal entropy behaves as an efficient indicator of the presence of an ESQPT. We further consider the diagonal entropy as a random variable over a certain time interval and we find that its associated probability distribution provides a clear distinction between the different phases of ESQPT. We observe that the probability distribution of the diagonal entropy at the ESQPT critical point has an universal form, well described by a beta distribution, and we demonstrate that a reliable detection of the ESQPT can be obtained from the diagonal entropy central moments., Comment: title has been changed, the manuscript has been rewritten, and new references are added

We present an extension of the Hamiltonian of the two dimensional limit of the vibron model encompassing all possible interactions up to four-body operators. We apply this Hamiltonian to the modeling of the experimental bending spectrum of fourteen molecules. The bending degrees of freedom of the selected molecular species include all possible situations: linear, bent, and nonrigid equilibrium structures; demonstrating the flexibility of the algebraic approach, that allows for the consideration of utterly different physical cases with a general formalism and a single Hamiltonian. For each case, we compute predicted term values used to depict the quantum monodromy diagram, the Birge-Sponer plot, the participation ratio. We also show the bending energy functional obtained using the coherent --or intrinsic-- state formalism., Comment: 67 pages, 18 tables and 15 figures

It has been shown that, despite being local, a perturbation applied to a single site of the one-dimensional XXZ model is enough to bring this interacting integrable spin-1/2 system to the chaotic regime. Here, we show that this is not unique to this model, but happens also to the Ising model in a transverse field and to the spin-1 Lai-Sutherland chain. The larger the system is, the smaller the amplitude of the local perturbation for the onset of chaos. We focus on two indicators of chaos, the correlation hole, which is a dynamical tool, and the distribution of off-diagonal elements of local observables, which is used in the eigenstate thermalization hypothesis. Both methods avoid spectrum unfolding and can detect chaos even when the eigenvalues are not separated by symmetry sectors., Comment: 8 pages, 6 figures

The self-averaging behavior of interacting many-body quantum systems has been mostly studied at equilibrium. The present work addresses what happens out of equilibrium, as the increase of the strength of onsite disorder takes the system to the localized phase. We consider two local and two non-local quantities of great experimental and theoretical interest. In the delocalized phase, self-averaging depends on the observable and on the time scale, but the picture simplifies substantially when localization is reached. In the localized phase, the local observables become self-averaging at all times, while the non-local quantities are throughout non-self-averaging. These behaviors are explained and scaling analysis are provided using the $\ell$-bits model and a toy model., Comment: 14 pages, 7 figures; new title, new section, scaling analysis and analytical results

Recent works have shown that the spectroscopic access to highly-excited states provides enough information to characterize transition states in isomerization reactions. Here, we show that the transition state of the bond breaking HCN-HNC isomerization reaction can also be achieved with the two-dimensional limit of the algebraic vibron model. We describe the system's bending vibration with the algebraic Hamiltonian and use its classical limit to characterize the transition state. Using either the coherent state formalism or a recently proposed approach by Baraban et al. [ Science 2015 , 350 , 1338], we obtain an accurate description of the isomerization transition state. In addition, we show that the energy level dynamics and the transition state wave function structure indicate that the spectrum in the vicinity of the isomerization saddle point can be understood in terms of the formalism for excited state quantum phase transitions., Comment: 16 pages, 1 figure, and two tables. Supplementary Material included. Accepted for publication in The Journal of Physical Chemistry A

Despite its importance to experiments, numerical simulations, and the development of theoretical models, self-averaging in many-body quantum systems out of equilibrium remains underinvestigated. Usually, in the chaotic regime, self-averaging is taken for granted. The numerical and analytical results presented here force us to rethink these expectations. They demonstrate that self-averaging properties depend on the quantity and also on the time scale considered. We show analytically that the survival probability in chaotic systems is not self-averaging at any time scale, even when evolved under full random matrices. We also analyze the participation ratio, R\'enyi entropies, the spin autocorrelation function from experiments with cold atoms, and the connected spin-spin correlation function from experiments with ion traps. We find that self-averaging holds at short times for the quantities that are local in space, while at long times, self-averaging applies for quantities that are local in time. Various behaviors are revealed at intermediate time scales., Comment: 18 pages, 7 figures (as published)

As a measure of information scrambling and quantum chaos, out-of-time-ordered correlator (OTOC) plays more and more important role in many different fields of physics. In this work, we verify that the OTOC can also be used as a prober of the excited-state quantum phase transition (ESQPT) in a quantum many body system. By using the exact diagonalization method, we examine the dynamical properties of OTOC in the Lipkin model, which undergoes an ESQPT. We demonstrate that the OTOC exhibits a remarkable distinct evolution behaviors in different phases of ESQPT. Therefore, the presence of an ESQPT in the quantum many body system can be clearly signaled by the different dynamical behaviors of the OTOC. In particular, we show that the steady state value of the OTOC serves as the order parameter of the ESQPT. Our results highlight the connections between the OTOC and ESQPT, which enable one to use OTOC for experimental tests ESQPTs in quantum many body systems., Comment: 7pages, 4figures. Accepted for publication in Physical Review A

We investigate the influence of an excited-state quantum phase transition (ESQPT) on the quantum speed limit (QSL) time of an open quantum system. The system consists of a central qubit coupled to a spin environment modeled by a Lipkin-Meshkov-Glick (LMG) Hamiltonian. We show that when the coupling between qubit and environment is such that the latter is located at the ESQPT critical energy the qubit evolution shows a remarkable slowdown, marked by an abrupt peak in the QSL time. Interestingly, this slowdown at the ESQPT critical point is induced by the singular behavior of the qubit decoherence rate, being independent of the Markovian nature of the environment., Comment: 12 pages. 7 figures. Accepted for publication in Physical Review A

This work presents a novel policy iteration algorithm to tackle nonzero-sum stochastic impulse games arising naturally in many applications. Despite the obvious impact of solving such problems, there are no suitable numerical methods available, to the best of our knowledge. Our method relies on the recently introduced characterization of the value functions and Nash equilibrium via a system of quasi-variational inequalities. While our algorithm is heuristic and we do not provide a convergence analysis, numerical tests show that it performs convincingly in a wide range of situations, including the only analytically solvable example available in the literature at the time of writing., Comment: Floats positions corrected. 23 pages, 8 figures

Despite its generality and powerful convergence properties, Milstein's method for functionals of spatially bounded stochastic differential equations is widely regarded as difficult to implement. This has likely prevented it from being utilised in applications. In this paper, we design and analyse in detail one such implementation. The presented method turns out to be on par with other, popular schemes in terms of computational cost---but with a (nearly) linear weak convergence rate under the usual smoothness requirements on coefficients and boundary. Two byproducts of theoretical interest are a new, non-standard rank-one update formula, and a connection between numerics of bounded diffusions and Eikonal equations. Three examples are worked out, confirming the accuracy and robustness of the method., Comment: Accepted for publication in the Journal of Scientific Computing (November 2018)

This paper proposes and analyses a new multilevel Monte Carlo method for the estimation of mean exit times for multi-dimensional Brownian diffusions, and associated functionals which correspond to solutions to high-dimensional parabolic PDEs through the Feynman-Kac formula. In particular, it is proved that the complexity to achieve an $\varepsilon$ root-mean-square error is $O(\varepsilon^{-2}\, |\!\log \varepsilon|^3)$., Comment: 21 pages, 3 figures, to appear in SIAM/ASA Journal on Uncertainty Quantification

The numerical solution of large-scale PDEs, such as those occurring in data-driven applications, unavoidably require powerful parallel computers and tailored parallel algorithms to make the best possible use of them. In fact, considerations about the parallelization and scalability of realistic problems are often critical enough to warrant acknowledgement in the modelling phase. The purpose of this paper is to spread awareness of the Probabilistic Domain Decomposition (PDD) method, a fresh approach to the parallelization of PDEs with excellent scalability properties. The idea exploits the stochastic representation of the PDE and its approximation via Monte Carlo in combination with deterministic high-performance PDE solvers. We describe the ingredients of PDD and its applicability in the scope of data science. In particular, we highlight recent advances in stochastic representations for nonlinear PDEs using branching diffusions, which have significantly broadened the scope of PDD. We envision this work as a dictionary giving large-scale PDE practitioners references on the very latest algorithms and techniques of a non-standard, yet highly parallelizable, methodology at the interface of deterministic and probabilistic numerical methods. We close this work with an invitation to the fully nonlinear case and open research questions., Comment: 23 pages, 7 figures; Final SMUR version; To appear in the European Journal of Applied Mathematics (EJAM)

A general and easy-to-code numerical method based on radial basis functions (RBFs) collocation is proposed for the solution of delay differential equations (DDEs). It relies on the interpolation properties of infinitely smooth RBFs, which allow for a large accuracy over a scattered and relatively small discretization support. Hardy's multiquadric is chosen as RBF and combined with the Residual Subsampling Algorithm of Driscoll and Heryudono for support adaptivity. The performance of the method is very satisfactory, as demonstrated over a cross-section of benchmark DDEs, and by comparison with existing general-purpose and specialized numerical schemes for DDEs., Comment: Original research paper

A simple and yet powerful approach for modeling the structure of endohedrally confined diatomic molecules is introduced. The theory, based on a u(4)+u(3) dynamical algebra, combines u(4), the vibron model dynamical algebra, with a u(3) dynamical algebra that models a spherically symmetric three dimensional potential. The first algebra encompasses the internal roto-vibrations degrees of freedom of the molecule, while the second takes into account the confined molecule center-of-mass degrees of freedom. A resulting subalgebra chain is connected to the underlying physics and the model is applied to the prototypical case of H2 caged in a fullerene molecule. The spectrum of the supramolecular complex H2@C60 is described with a few parameters and predictions for not yet detected levels are made. Our fits suggest that the quantum numbers of a few lines should be reassigned to obtain better agreement with data., Comment: 9 pages, 3 figures plus 4 pages of supplemental material. Accepted for publication in Physical Review A

This work is concerned with the excited state quantum phase transitions (ESQPTs) defined in Ann.Phys. 323, 1106 (2008). In many-body models that exhibit such transitions, the ground state quantum phase transition (QPT) occurs in parallel with a singularity in the energy spectrum that propagates to higher energies as the control parameter increases beyond the QPT critical point. The analysis of the spectrum has been a main tool for the detection of these ESQPTs. Studies of the effects of this transition on the system dynamics are more limited. Here, we extend our previous works and show that the evolution of an initial state with energy close to the ESQPT critical point may be extremely slow. This result is surprising, because it may take place in systems with long-range interactions, where the dynamics is usually expected to be very fast. A timely example is the one-dimensional spin-1/2 model with infinite-range Ising interaction studied in experiments with ion traps. Its Hamiltonian has a U(2) algebraic structure. More generally, the slow dynamics described here occurs in two-level bosonic or fermionic models with pairing interactions and a U(v+1) Hamiltonian exhibiting a QPT between its limiting U(v) and SO(v+1) dynamical symmetries. In this work, we compare the results for v=1, 2, and 3., Comment: 6 pages, 4 figures, accepted at the FQMT15 special volume of the Fortschritte der Physik

Excited state quantum phase transitions (ESQPTs) are generalizations of quantum phase transitions (QPTs) to excited levels. They are associated with local divergences in the density of states. Here, we investigate how the presence of an ESQPT can be detected from the analysis of the structure of the Hamiltonian matrix, the level of localization of the eigenstates, the onset of bifurcation, and the speed of the system evolution. Our findings are illustrated for a Hamiltonian with infinite-range Ising interaction in a transverse field. This is a version of the Lipkin-Meshkov-Glick (LMG) model and the limiting case of the one-dimensional spin-1/2 system with tunable interactions realized with ion traps. From our studies for the dynamics, we uncover similarities between the LMG and the noninteracting XX models., Comment: 13 pages, 15 figures

We present an iterative scheme, reminiscent of the Multigrid method, to solve large boundary value problems with Probabilistic Domain Decomposition (PDD). In it, increasingly accurate approximations to the solution are used as control variates in order to reduce the Monte Carlo error of the following iterates--resulting in an overall acceleration of PDD for a given error tolerance. The key ingredient of the proposed algorithm is the ability to approximately predict the speedup with little computational overhead and in parallel. Besides, the theoretical framework allows to explore other aspects of PDD, such as stability. One numerical example is worked out, yielding an improvement of between one and two orders of magnitude over the previous version of PDD., Comment: Original research paper

We consider the numerical solution of nonlinear elliptic boundary value problems with Kansa's method. We derive analytic formulas for the Jacobian and Hessian of the resulting nonlinear collocation system and exploit them within the framework of the trust-region algorithm. This ansatz is tested on semilinear, quasilinear and fully nonlinear elliptic PDEs (including Plateau's problem, Hele-Shaw flow and the Monge-Amp\`ere equation) with excellent results. The new approach distinctly outperforms previous ones based on linearization or finite-difference Jacobians., Comment: Original research paper

We review, implement, and compare numerical integration schemes for spatially bounded diffusions stopped at the boundary which possess a convergence rate of the discretization error with respect to the timestep $h$ higher than ${\cal O}(\sqrt{h})$. We address specific implementation issues of the most general-purpose of such schemes. They have been coded into a single Matlab program and compared, according to their accuracy and computational cost, on a wide range of problems in up to ${\mathbb R}^{48}$. The paper is self-contained and the code will be made freely downloadable., Comment: Under review. Matlab code will be made available soon

We study the structure of the eigenstates and the dynamics of a system that undergoes an excited state quantum phase transition (ESQPT). The analysis is performed for two-level pairing models characterized by a U(n+1) algebraic structure. They exhibit a second order phase transition between two limiting dynamical symmetries represented by the U(n) and SO(n+1) subalgebras. They are, or can be mapped onto, models of interacting bosons. We show that the eigenstates with energies very close to the ESQPT critical point, E_{ESQPT}, are highly localized in the U(n)-basis. Consequently, the dynamics of a system initially prepared in a U(n)-basis vector with energy close to E_{ESQPT} may be extremely slow. Signatures of an ESQPT can therefore be found in the structures of the eigenstates and in the speed of the system evolution after a sudden quench. Our findings can be tested experimentally with trapped ions., Comment: 5 pages, 3 figures, published version

We construct a 1D toy model to describe the structural properties of Borromean nuclei at the continuum threshold. The system is composed by two valence neutrons that are bound thanks to a residual interaction. Different discretization procedures are used (harmonic oscillator, transformed harmonic oscillator, rigid wallbox). The resulting energies and wave functions, as well as transition intensities and resonances are compared within the different discretization techniques., Comment: Master thesis at the University of Padova, Italy