arXiv subjects

M. G. E. da Luz

Publications and source records attributed to M. G. E. da Luz.

At least 19 recordsLinked to original sources

arXiv2026

On quantum mechanics self-consistency: EPR incompleteness claims require no extraneous concepts beyond the theory's plain formalism for refutation

From a phenomenological and experimental viewpoint, quantum mechanics is remarkably successful in explaining effects and processes in the microscopic world. Recently, however, a growing body of literature has revisited the theory's own formal foundations, specifically addressing issues of self-consistency and completeness. As a major historical example of these foundational challenges, the Einstein-Podolsky-Rosen (EPR) argument famously claimed that the theory is incomplete. While many valid criticisms and refutations of the EPR logic exist, they generally rely on a combination of technical results and conceptual objections to EPR's interpretive assumptions, thus transcending the plain quantum framework itself. Motivated by these trends of examining the theory's structural limits, here we revisit the EPR argument. Focusing on elements essential to the EPR reasoning, we first analyze general quantum correlations for EPR states: (i) the fact that their observables are always associated with non-commuting operators, and (ii) the nature of the correlated information obtained through measurement. From these two points alone, and relying strictly on the core rules of quantum mechanics, we demonstrate how to overturn the alleged EPR incompleteness without invoking any extraneous propositions. Consequently, we show that the standard formalism alone suffices to resolve such type of skepticism regarding the theory's physical reach. This offers, at least in a paradigmatic instance, a powerful indication of a structurally well-founded, self-consistent quantum theory.

quant-ph↗

arXiv2026

Chalcogen Impurity Barriers in 2D Systems via Semi-Empirical/Machine Learning Modeling: A Survey over 4000 Materials

Adequate characterization of two-dimensional materials with low energy barriers for impurity adsorption is key for advancing applications based on catalysis, sensing, and surface functionalization. However, first-principles methods, such as DFT, are often computationally extremely expensive for feasible large-scale screenings. Given such a scenario, we address a data-driven approach which integrates the semi-empirical Extended Huckel Method with machine learning techniques to estimate adsorption energy barriers in the case of three relevant chalcogen impurities, S, Se and Te. With this aim, we consider the 4036 2D materials found in the C2DB. The scheme employs the EHM to compute energy profiles along three in-plane migration paths, from which average barriers can be derived. The equilibrium distance between the impurity and the 2D surface is not calculated from a tie-consuming geometry optimization. Instead, it is estimated from a simple effective phenomenological expression. Physicochemical descriptors are then obtained from the Matminer library for curated features. Four different ML models are tested, with the XGBoost leading to the highest performance. We further use SHAP to verify the resulting predictions, focusing on the $\sim1,500$ materials displaying the lowest barrier values. As it could be anticipated, we establish that the average valence electron count, electronegativity, and atomic number are typically the most relevant attributes to validate the ML model. But we also are able to determine, for the different chalcogen atoms, which other few descriptors likewise considerably influence the adsorption properties. Our results show that when combined with interpretable ML protocols, EHM can produce a scalable framework for choosing 2D structures that exhibit the desired capture/release dynamics pertinent in a variety of utilization.

cond-mat.mtrl-sci↗

arXiv2026

Lévy walkers inside spherical shells with absorbing boundaries: Towards settling the optimal Lévy walk strategy for random searches

The Lévy flight foraging hypothesis states that organisms must have evolved adaptations to exploit Lévy walk search strategies. Indeed, it is widely accepted that inverse square Lévy walks optimize the search efficiency in foraging with unrestricted revisits (also known as non-destructive foraging). However, a mathematically rigorous demonstration of this for dimensions $D \geq 2$ is still lacking. Here we study the very closely related problem of a Lévy walker inside annuli or spherical shells with absorbing boundaries. In the limit that corresponds to the foraging with unrestricted revisits, we show that inverse square Lévy walks optimize the search. This constitutes the strongest formal result to date supporting the optimality of inverse square Lévy walks search strategies.

cond-mat.stat-mech↗

arXiv2025

Relativistic Lévy processes

We study sums of independent and identically distributed random velocities in special relativity. We show that the resulting one-dimensional velocity distributions are not only stable under relativistic velocity addition but define a genuinely new class of stochastic processes--relativistic Lévy processes. Given a system, this allows identifying distinct relativistic regimes in terms of the distribution's concavity at the origin and the probability of measuring relativistic velocities. These features provide a protocol to assess the relevance of stochastic relativistic effects in actual experiments. As supporting evidence, we find agreement with previous results about heavy-ion diffusion and show that our findings are consistent with the distribution of momentum deviations observed in measurements of antiproton cooling.

cond-mat.stat-mech↗

arXiv2023

Lattice Thermal Conductivity of 2D Nanomaterials: A Simple Semi-Empirical Approach

Extracting reliable information on certain physical properties of materials, like thermal behavior, such as thermal transport, which can be very computationally demanding. Aiming to overcome such difficulties in the particular case of lattice thermal conductivity (LTC) of 2D nanomaterials, we propose a simple, fast, and accurate semi-empirical approach for its calculation.The approach is based on parameterized thermochemical equations and Arrhenius-like fitting procedures, thus avoiding molecular dynamics or \textit{ab initio} protocols, which frequently demand computationally expensive simulations. As proof of concept, we obtain the LTC of some prototypical physical systems, such as graphene (and other 2D carbon allotropes), hexagonal boron nitride (hBN), silicene, germanene, binary, and ternary BNC latices and two examples of the fullerene network family. Our values are in good agreement with other theoretical and experimental estimations, nonetheless being derived in a rather straightforward way, at a fraction of the computational cost.

cond-mat.mtrl-sci↗

arXiv2023

Threshold-free estimation of entropy from a Pearson matrix

There is demand in diverse fields for a reliable method of estimating the entropy associated with correlations. The estimation of a unique entropy directly from the Pearson correlation matrix has remained an open problem for more than half a century. All existing approaches lack generality insofar as they require thresholding choices that arbitrarily remove possibly important information. Here we propose an objective procedure for directly estimating a unique entropy of a general Pearson matrix. We show that upon rescaling the Pearson matrix satisfies all necessary conditions for an analog of the von Neumann entropy to be well defined. No thresholding is required. We demonstrate the method by estimating the entropy from neuroimaging time series of the human brain under the influence of a psychedelic.

physics.data-an↗

arXiv2022

What does it take to solve the 3D Ising model? Minimal necessary conditions for a valid solution

Exact solution of the Ising model on the simple cubic lattice is one of the long-standing open problems in rigorous statistical mechanics. Indeed, it is generally believed that settling it would constitute a methodological breakthrough, fomenting great prospects for further application, similarly to what happened when Lars Onsager solved the two dimensional model eighty years ago. Hence, there have been many attempts to find analytic expressions for the exact partition function $Z$, but all such attempts have failed due to unavoidable conceptual or mathematical obstructions. Given the importance of this simple yet paradigmatic model, here we set out clear-cut criteria for any claimed exact expression for $Z$ to be minimally plausible. Specifically, we present six necessary -- but not sufficient -- conditions that $Z$ must satisfy. These criteria will allow very quick plausibility checks of future claims. As illustrative examples, we discuss previous mistaken ``solutions,'' unveiling their shortcomings.

cond-mat.stat-mech↗

arXiv2021

Comment on "Inverse Square Lévy Walks are not Optimal Search Strategies for d $\geq$ 2" [Phys. Rev. Lett. 124, 080601 (2020)]

It is widely accepted that inverse square Lévy walks are optimal search strategies because they maximize the encounter rate with sparse, randomly distributed, replenishable targets when the search restarts in the vicinity of the previously visited target, which becomes revisitable again with high probability, i.e., non-destructive foraging [Nature 401, 911 (1999)]. The precise conditions for the validity of this Lévy flight foraging hypothesis (LFH) have been widely described in the literature [Phys. Life Rev. 14, 94 (2015)]. Nevertheless, three objecting claims to the LFH have been raised recently for $d \geq 2$: (i) the capture rate $η$ has linear dependence on the target density $ρ$ for all values of the Lévy index $α$; (ii) "the gain $η_{max}/η$ achieved by varying $α$ is bounded even in the limit $ρ\to 0 $" so that "tuning $α$ can only yield a marginal gain"; (iii) depending on the values of the radius of detection $a$, the restarting distance $l_c$ and the scale parameter $s$, the optimum is realized for a range of $α$ [Phys. Rev. Lett. 124, 080601 (2020)]. Here we answer each of these three criticisms in detail and show that claims (i)-(iii) do not actually invalidate the LFH. Our results and analyses restore the original result of the LFH for non-destructive foraging.

cond-mat.stat-mech↗

arXiv2018

Finite-size scaling for discontinuous nonequilibrium phase transitions

A finite size scaling theory, originally developed only for transitions to absorbing states [Phys. Rev. E {\bf 92}, 062126 (2015)], is extended to distinct sorts of discontinuous nonequilibrium phase transitions. Expressions for quantities such as, response functions, reduced cumulants and equal area probability distributions, are derived from phenomenological arguments. Irrespective of system details, all these quantities scale with the volume, establishing the dependence on size. The approach generality is illustrated through the analysis of different models. The present results are a relevant step in trying to unify the scaling behavior description of nonequilibrium transition processes.

cond-mat.stat-mech↗

arXiv2016

Green's function approach for quantum graphs: an overview

Here we review the many aspects and distinct phenomena associated to quantum dynamics on general graph structures. For so, we discuss such class of systems under the energy domain Green's function ($G$) framework. This approach is particularly interesting because $G$ can be written as a sum over classical-like paths, where local quantum effects are taking into account through the scattering matrix amplitudes (basically, transmission and reflection amplitudes) defined on each one of the graph vertices. Hence, the {\em exact} $G$ has the functional form of a generalized semiclassical formula, which through different calculation techniques (addressed in details here) always can be cast into a closed analytic expression. It allows to solve exactly arbitrary large (although finite) graphs in a recursive and fast way. Using the Green's function method, we survey many properties for open and closed quantum graphs as scattering solutions for the former and eigenspectrum and eigenstates for the latter, also considering quasi-bound states. Concrete examples, like cube, binary trees and Sierpiński-like topologies are presented. Along the work, possible distinct applications using the Green's function methods for quantum graphs are outlined.

quant-ph↗

arXiv2015

Generic finite size scaling for discontinuous nonequilibrium phase transitions into absorbing states

Based on quasi-stationary distribution ideas, a general finite size scaling theory is proposed for discontinuous nonequilibrium phase transitions into absorbing states. Analogously to the equilibrium case, we show that quantities such as, response functions, cumulants, and equal area probability distributions, all scale with the volume, thus allowing proper estimates for the thermodynamic limit. To illustrate these results, five very distinct lattice models displaying nonequilibrium transitions -- to single and infinitely many absorbing states -- are investigated. The innate difficulties in analyzing absorbing phase transitions are circumvented through quasi-stationary simulation methods. Our findings (allied to numerical studies in the literature) strongly point to an unifying discontinuous phase transition scaling behavior for equilibrium and this important class of nonequilibrium systems.

cond-mat.stat-mech↗

arXiv2014

Determining efficient temperature sets for the simulated tempering method

In statistical physics, the efficiency of tempering approaches strongly depends on ingredients such as the number of replicas $R$, reliable determination of weight factors and the set of used temperatures, ${\mathcal T}_R = \{T_1, T_2, \ldots, T_R\}$. For the simulated tempering (SP) in particular -- useful due to its generality and conceptual simplicity -- the latter aspect (closely related to the actual $R$) may be a key issue in problems displaying metastability and trapping in certain regions of the phase space. To determine ${\mathcal T}_R$'s leading to accurate thermodynamics estimates and still trying to minimize the simulation computational time, here it is considered a fixed exchange frequency scheme for the ST. From the temperature of interest $T_1$, successive $T$'s are chosen so that the exchange frequency between any adjacent pair $T_r$ and $T_{r+1}$ has a same value $f$. By varying the $f$'s and analyzing the ${\mathcal T}_R$'s through relatively inexpensive tests (e.g., time decay toward the steady regime), an optimal situation in which the simulations visit much faster and more uniformly the relevant portions of the phase space is determined. As illustrations, the proposal is applied to three lattice models, BEG, Bell-Lavis, and Potts, in the hard case of extreme first-order phase transitions, always giving very good results, even for $R=3$. Also, comparisons with other protocols (constant entropy and arithmetic progression) to choose the set ${\mathcal T}_R$ are undertaken. The fixed exchange frequency method is found to be consistently superior, specially for small $R$'s. Finally, distinct instances where the prescription could be helpful (in second-order transitions and for the parallel tempering approach) are briefly discussed.

cond-mat.stat-mech↗

arXiv2012

Exploiting a semi-analytic approach to study first order phase transitions

In a previous contribution, Phys. Rev. Lett 107, 230601 (2011), we have proposed a method to treat first order phase transitions at low temperatures. It describes arbitrary order parameter through an analytical expression $W$, which depends on few coefficients. Such coefficients can be calculated by simulating relatively small systems, hence with a low computational cost. The method determines the precise location of coexistence lines and arbitrary response functions (from proper derivatives of $W$). Here we exploit and extend the approach, discussing a more general condition for its validity. We show that in fact it works beyond the low $T$ limit, provided the first order phase transition is strong enough. Thus, $W$ can be used even to study athermal problems, as exemplified for a hard-core lattice gas. We furthermore demonstrate that other relevant thermodynamic quantities, as entropy and energy, are also obtained from $W$. To clarify some important mathematical features of the method, we analyze in details an analytically solvable problem. Finally, we discuss different representative models, namely, Potts, Bell-Lavis, and associating gas-lattice, illustrating the procedure broad applicability.

cond-mat.stat-mech↗

arXiv2012

Superdiffusivity of quantum walks: A Feynman sum-over-paths description

Quantum walks constitute important tools in different applications, especially in quantum algorithms. To a great extent their usefulness is due to unusual diffusive features, allowing much faster spreading than their classical counterparts. Such behavior, although frequently credited to intrinsic quantum interference, usually is not completely characterized. Using a recently developed Green's function approach [Phys. Rev. A {\bf 84}, 042343 (2011)], here it is described -- in a rather general way -- the problem dynamics in terms of a true sum over paths history a la Feynman. It allows one to explicit identify interference effects and also to explain the emergence of superdiffusivity. The present analysis has the potential to help in designing quantum walks with distinct transport properties.

quant-ph↗

arXiv2011

Green function approach for scattering quantum walks

In this work a Green function approach for scattering quantum walks is developed. The exact formula has the form of a sum over paths and always can be cast into a closed analytic expression for arbitrary topologies and position dependent quantum amplitudes. By introducing the step and path operators, it is shown how to extract any information about the system from the Green function. The method relevant features are demonstrated by discussing in details an example, a general diamond-shaped graph.

quant-ph↗

arXiv2011

General approach for studying first-order phase transitions at low temperatures

By combining different ideas, a general and efficient protocol to deal with discontinuous phase transitions at low temperatures is proposed. For small $T$'s, it is possible to derive a generic analytic expression for appropriate order parameters, whose coefficients are obtained from simple simulations. Once in such regimes simulations by standard algorithms are not reliable, an enhanced tempering method, the parallel tempering -- accurate for small and intermediate system sizes with rather low computational cost -- is used. Finally, from finite size analysis, one can obtain the thermodynamic limit. The procedure is illustrated for four distinct models, demonstrating its power, e.g., to locate coexistence lines and the phases density at the coexistence.

cond-mat.stat-mech↗

arXiv2010

A simple protocol for the probability weights of the simulated tempering algorithm: applications to first-order phase transitions

The simulated tempering (ST) is an important method to deal with systems whose phase spaces are hard to sample ergodically. However, it uses accepting probabilities weights which often demand involving and time consuming calculations. Here it is shown that such weights are quite accurately obtained from the largest eigenvalue of the transfer matrix -- a quantity straightforward to compute from direct Monte Carlo simulations -- thus simplifying the algorithm implementation. As tests, different systems are considered, namely, Ising, Blume-Capel, Blume-Emery-Griffiths and Bell-Lavis liquid water models. In particular, we address first-order phase transition at low temperatures, a regime notoriously difficulty to simulate because the large free-energy barriers. The good results found (when compared with other well established approaches) suggest that the ST can be a valuable tool to address strong first-order phase transitions, a possibility still not well explored in the literature.

cond-mat.stat-mech↗

arXiv2010

Comparing parallel and simulated tempering enhanced sampling algorithms at phase transition regimes

Two important enhanced sampling algorithms, simulated (ST) and parallel (PT) tempering, are commonly used when ergodic simulations may be hard to achieve, e.g, due to a phase space separated by large free-energy barriers. This is so for systems around first-order phase transitions, a case still not fully explored with such approaches in the literature. In this contribution we make a comparative study between the PT and ST for the Ising (a lattice-gas in the fluid language) and the BEG (a lattice-gas with vacancies) models at phase transition regimes. We show that although the two methods are equivalent in the limit of sufficiently long simulations, the PT is more advantageous than the ST with respect to all the analysis performed: convergence towards the stationarity; frequency of tunneling between phases at the coexistence; and decay of time-displaced correlation functions of thermodynamic quantities. Qualitative arguments for why one may expect better results from the PT than the ST near phase transitions conditions are also presented.

cond-mat.stat-mech↗