Quantum Partition Research Articles

Super-Nernstian potentiometric response of InN/InGaN quantum dots by fractional electron transfer

The potentiometric response of InN/InGaN quantum dots (QDs) on Si (111) is experimentally studied and modeled as a function of the In content and morphology of the InGaN layer below the QDs due to the changing N flux in stationary plasma-assisted molecular beam epitaxy. For isolated core–shell InGaN nanowires formed for N-rich growth, sub-Nernstian response with Cl− anions as the test analyte is observed. For compact columnar InGaN layers formed in a very narrow range of N flux at the N-rich to metal-rich growth transition, a maximum super-Nernstian response of 100 mV/decade is achieved, provided the In content is high. With reducing N flux and In content, low super-Nernstian response and finally sub-Nernstian response are re-established for compact planar GaN layers. The maximum super-Nernstian response and the transition to sub-Nernstian response are quantitatively modeled by the quantum partition of electrons inside and outside of the QDs and consequent fractional electron transfer in the artificial chemical reaction of the QDs with the anions.

Complex partition function of 1-dimensional Dirac particle confined in Woods-Saxon interaction

We present the bound state solutions of one-dimensional Schrödinger and Dirac equations for a particle confined in Woods-Saxon potential. In each case the wavefunctions and the energy eigenvalues have been obtained in terms of the Jacobi polynomials by using the Nikiforov-Uvarov method. The complex eigenenergy obtained from the Dirac equation is explicitly shown to contain the nonrelativistic energies plus complex relativistic correction terms The quantum partition functions obtained using the relativistic and the nonrelativistic energies have been used to generate important thermodynamic properties of the system in the high temperature limit. In particular, the complex partition function obtained in the relativistic regime is taken to indicate some important physical effects in the system.

The Einstein–Hilbert action for entropically dominant causal sets

In the path integral formulation of causal set quantum gravity, the quantum partition function is a phase-weighted sum over locally finite partially ordered sets, which are viewed as discrete quantum spacetimes. It is known, however, that the number of ‘layered’ sets—a class of causal sets that look nothing like spacetime manifolds—grows superexponentially with the cardinality n, giving an entropic contribution that can potentially dominate that of the action. We show here that in any dimension, the discrete Einstein–Hilbert action for a typical K-layered causal set reduces to the simple link action to leading order in n. Combined with earlier work, this completes the proof that the layered sets, although entropically dominant, are very strongly suppressed in the path sum of causal set quantum gravity whenever the discreteness scale is greater than or equal to a (mildly dimension-dependent) order one multiple of the Planck scale.

Thermodynamics of harmonic oscillator with minimal length

The generalized uncertainty principle has been applied to the Schrödinger wave equation for a one-dimensional harmonic oscillator to generate a sixth-order generalized Schrödinger equation in the position representation. The energy eigenvalues and the eigenfunctions of the sixth-order equation have been obtained. The results show the approximate correction terms of the energies due to the modified uncertainty principle. The quantum partition functions derived from the energy eigenvalue have also been used to study the thermodynamic properties of the system. The results suggest a lower bound for the minimal length equivalent to the thermal wavelength of the oscillator at very high temperature.

Algorithmic Cluster Expansions for Quantum Problems

We establish a general framework for developing approximation algorithms for a class of counting problems. Our framework is based on the cluster expansion of the abstract polymer model formalism of Kotecký and Preiss. We apply our framework to obtain efficient algorithms for (1) approximating probability amplitudes of a class of quantum circuits close to the identity, (2) approximating expectation values of a class of quantum circuits with operators close to the identity, (3) approximating partition functions of a class of quantum spin systems at high temperature, and (4) approximating thermal expectation values of a class of quantum spin systems at high temperature with positive-semidefinite operators. Further, we obtain hardness of approximation results for approximating probability amplitudes of quantum circuits and partition functions of quantum spin systems. This establishes a computational complexity transition for these problems and shows that our algorithmic conditions are optimal under complexity-theoretic assumptions. Finally, we show that our algorithmic condition is almost optimal for expectation values and optimal for thermal expectation values in the sense of zero freeness. Published by the American Physical Society 2024

Efficient Algorithms for Approximating Quantum Partition Functions at Low Temperature

We establish an efficient approximation algorithm for the partition functions of a class of quantum spin systems at low temperature, which can be viewed as stable quantum perturbations of classical spin systems. Our algorithm is based on combining the contour representation of quantum spin systems of this type due to Borgs, Kotecký, and Ueltschi with the algorithmic framework developed by Helmuth, Perkins, and Regts, and Borgs et al.

Quantum statistical mechanics of dissolving Abelian Higgs vortices

The quantum partition function for Abelian Higgs vortices at high density—the regime of dissolving vortices—is calculated explicitly, using spectral data for the Beltrami Laplacian on the N-vortex moduli space with a scaled Fubini–Study metric. From the partition function, the pressure of the vortex gas is derived. There are three asymptotic regimes—High, Intermediate and Low Temperature. The phase crossover from Intermediate to Low Temperature is modelled by a Bessel function. In the Low Temperature regime the free energy is not extensive but is proportional to N 2.

Quantum computing reduces systemic risk in financial networks

In highly connected financial networks, the failure of a single institution can cascade into additional bank failures. This systemic risk can be mitigated by adjusting the loans, holding shares, and other liabilities connecting institutions in a way that prevents cascading of failures. We are approaching the systemic risk problem by attempting to optimize the connections between the institutions. In order to provide a more realistic simulation environment, we have incorporated nonlinear/discontinuous losses in the value of the banks. To address scalability challenges, we have developed a two-stage algorithm where the networks are partitioned into modules of highly interconnected banks and then the modules are individually optimized. We developed a new algorithms for classical and quantum partitioning for directed and weighed graphs (first stage) and a new methodology for solving Mixed Integer Linear Programming problems with constraints for the systemic risk context (second stage). We compare classical and quantum algorithms for the partitioning problem. Experimental results demonstrate that our two-stage optimization with quantum partitioning is more resilient to financial shocks, delays the cascade failure phase transition, and reduces the total number of failures at convergence under systemic risks with reduced time complexity.

Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-Matching.

Feynman's imaginary time path integral formalism of quantum statistical mechanics and the corresponding quantum-classical isomorphism provide a tangible way of incorporating nuclear quantum effect (NQE) in the simulation of condensed matter systems using well-developed classical simulation techniques. Our previous work has presented the many-body coarse-graining of path integral (CG-PI) theory that builds an isomorphism between the quantum partition function of N distinguishable particles and the classical partition function of 2N pseudoparticles. In this present work, we develop a generalized version of the many-body CG-PI theory that incorporates many-body interactions in the force field. Based on the new derivation, we provide a numerical CG-PI (n-CG-PI) modeling strategy parametrized from the underlying path integral molecular dynamics (PIMD) trajectories using force matching and Boltzmann inversion. The n-CG-PI models for two liquid systems are shown to capture well both the intramolecular and intermolecular structural correlations of the reference PIMD simulations. The generalized derivation of the many-body CG-PI theory and the n-CG-PI model presented in this work extend the scope of the CG-PI formalism by generalizing the previously limited theory to incorporate force fields of realistic molecular systems.

Differential equation for partition functions and a duality pseudo-forest

We consider finite quantum systems defined by a mixed set of commutation and anti-commutation relations between components of the Hamiltonian operator. These relations are represented by an anti-commutativity graph that contains necessary and sufficient information for computing the full quantum partition function. We derive a second-order differential equation for an extended partition function z[β, β′, J] that describes a transformation from a “parent” partition function z[0, β′, J] (or anti-commutativity graph) to a “child” partition function z[β, 0, J] (or anti-commutativity graph). The procedure can be iterated, and then one forms a pseudo-forest of duality transformations between quantum systems, i.e., a directed graph in which every vertex (or quantum system) has at most one incoming edge (from its parent system). The pseudo-forest has a single tree connected to a constant partition function, many pseudo-trees connected to self-dual systems, and all other pseudo-trees connected to closed cycles of transformations between mutually dual systems. We also show how the differential equation for the extended partition function can be used to study disordered systems.

The Truth on Gravity and Terrestrial Global Warming. Part 1: The Quantum Gravity Field

Although during the last century both experimental and computational technology progress has accumulated solid factual information on the deeper knowledge of our actual world, the previous approaches derived in most cases from the unfinished Einstein’s theory of gravity using untrue models for the torsion tensor, have failed to explain the gravitational and precessional aspects, causally connected with the morphogenesis of matter engendered by the bending of light. The torsion/ twisted process during the refrigeration of hot matter (lava) is essential for the understanding of gravitation phenomena as embodied/ gravitized mass occurring at the polarization of light. The Lorentz polarized field concept, (4π/3)P(Ker), associated with a quantum partition kernel, Ker = (1/2, 2/3, 3/4), of the light polarization for radiant energy, mass and gravity, respectively, is generalized for the regenerative matter, including the polarization of time as absolute/orbital time and relative/ precessional time (or the half-life of a regenerative substance). The laws of the Sun like regenerative material systems are given and also the explanations of the quantum origin of gravity along with certain aberration of light in its field are considered.

Quantum gravity at the fifth root of unity

We consider quantum transition amplitudes, partition functions and observables for 3D spin foam models within SU(2) quantum group deformation symmetry, where the deformation parameter is postulated to be a complex fifth root of unity. By considering fermionic cycles through the foam, we couple this SU(2) quantum group with the same deformation of SU(3) so that we have quantum numbers linked with spacetime symmetry and charge gauge symmetry in the computation of observables. In this case, the amplitudes have a polytope interpretation. The generalization to higher-dimensional Lie groups SU(N), G2 and E8 is suggested.

Worldline algorithm by oracle-guided variational autoregressive network

The variational autoregressive network is extended to the Euclidean path integral representation of quantum partition function. An essential challenge is adapting the sequential process of sample generation by an autoregressive network to a nonlocal constraint due to the periodic boundary condition in path integral. An add-on oracle is devised for this purpose, which accurately identifies and stalls unviable configurations as soon as they occur. The oracle enables rejection-free sampling conforming to the periodic boundary condition. As a demonstration, the oracle-guided autoregressive network is applied to obtain variational solutions of quantum spin chains at finite temperatures with relatively large system sizes and numbers of time slicing, and to efficiently compute thermodynamic quantities.

Intrinsic Dimension of Path Integrals: Data-Mining Quantum Criticality and Emergent Simplicity

Quantum many-body systems are characterized by patterns of correlations that define highly-non trivial manifolds when interpreted as data structures. Physical properties of phases and phase transitions are typically retrieved via simple correlation functions, that are related to observable response functions. Recent experiments have demonstrated capabilities to fully characterize quantum many-body systems via wave-function snapshots, opening new possibilities to analyze quantum phenomena. Here, we introduce a method to data mine the correlation structure of quantum partition functions via their path integral (or equivalently, stochastic series expansion) manifold. We characterize path-integral manifolds generated via state-of-the-art Quantum Monte Carlo methods utilizing the intrinsic dimension (ID) and the variance of distances from nearest neighbors (NN): the former is related to dataset complexity, while the latter is able to diagnose connectivity features of points in configuration space. We show how these properties feature universal patterns in the vicinity of quantum criticality, that reveal how data structures {\it simplify} systematically at quantum phase transitions. This is further reflected by the fact that both ID and variance of NN-distances exhibit universal scaling behavior in the vicinity of second-order and Berezinskii-Kosterlitz-Thouless critical points. Finally, we show how non-Abelian symmetries dramatically influence quantum data sets, due to the nature of (non-commuting) conserved charges in the quantum case. Complementary to neural network representations, our approach represents a first, elementary step towards a systematic characterization of path integral manifolds before any dimensional reduction is taken, that is informative about universal behavior and complexity, and can find immediate application to both experiments and Monte Carlo simulations.

Dual path integral: a non-perturbative approach to strong coupling

We develop a non-perturbative method for calculating partition functions of strongly coupled quantum mechanical systems with interactions between subsystems described by a path integral of a dual system. The dual path integral is derived starting from non-interacting subsystems at zeroth order and then by introducing couplings of increasing complexity at each order of an iterative procedure. These orders of interactions play the role of a dual time and the full quantum partition function is expressed as a transition amplitude in the dual system. More precisely, it is expressed as a path integral from a deformation-operators dependent initial state at zero time/order to the inverse-temperature dependent final state at later time/order. We provide examples of strongly coupled systems with up to first-order interactions (e.g. Ising model) and arbitrary high-order interactions (e.g. 1+1hbox {D} QFT). We also discuss a possible emergence of space-time, quantum field theories and general relativity in context of the dual path integral.

Efficient algorithms for approximating quantum partition functions

We establish a polynomial-time approximation algorithm for partition functions of quantum spin models at high temperature. Our algorithm is based on the quantum cluster expansion of Netočný and Redig and the cluster expansion approach to designing algorithms due to Helmuth, Perkins, and Regts. Similar results have previously been obtained by related methods, and our main contribution is a simple and slightly sharper analysis for the case of pairwise interactions on bounded-degree graphs.

Probability density correlation for PDM-Hamiltonians and superstatistical PDM-partition functions

Schrodinger equation with position-dependent mass (PDM) allows the identification of quantum wave functions in a complex environment. Following the progress of this investigation field, in this work, we consider the non-Hermitian kinetic operators associated with the PDM Schrodinger equation. We provide a simplified picture for PDM quantum systems that admit exact solutions in confining potentials. First, we investigate the solutions for a sinusoidal and an exponential PDM distributions in an infinite potential well. Next, we consider the solutions for a PDM harmonic oscillator potential associated with a power-law PDM distribution. The results presented in this work offer a way to approach new classes of solutions for PDM quantum systems in confining potential (bound states). Complementarily, we interpret the quantum partition function of the canonical ensemble of a PDM system in the context of the superstatistics, which, in turn, allows us to express the inhomogeneity of the PDM in terms of beta distribution $$f(\beta )$$ , Dirac delta distributions for $$f(\beta )$$ , and effective temperatures. Our results are, hereby, reported for the sinusoidal and the exponential PDM distributions.

Quantum Jackiw-Teitelboim gravity, Selberg trace formula, and random matrix theory

The authors show the quantum partition function for Jackiw-Teitelboim gravity in terms of the lengths of periodic orbits of two-dimensional Riemann surfaces of arbitrary genus.

On the Occurrence of Clathrate Hydrates in Extreme Conditions: Dissociation Pressures and Occupancies at Cryogenic Temperatures with Application to Planetary Systems

Abstract We investigate the thermodynamic stability of clathrate hydrates at cryogenic temperatures from the 0 K limit to 200 K in a wide range of pressures, covering the thermodynamic conditions of interstellar space and the surface of the hydrosphere in satellites. Our evaluation of the phase behaviors is performed by setting up quantum partition functions with variable pressures on the basis of a rigorous statistical mechanics theory that requires only the intermolecular interactions as input. Noble gases, hydrocarbons, nitrogen, and oxygen are chosen as the guest species, which are key components of the volatiles in such satellites. We explore the hydrate/water two-phase boundary of those clathrate hydrates in water-rich conditions and the hydrate/guest two-phase boundary in guest-rich conditions, either of which occurs on the surface or subsurface of icy satellites. The obtained phase diagrams indicate that clathrate hydrates can be in equilibrium with either water or the guest species over a wide range far distant from the three-phase coexistence condition and that the stable pressure zone of each clathrate hydrate expands significantly on intense cooling. The implication of our findings for the stable form of water in Titan is that water on the surface exists only as clathrate hydrate with the atmosphere down to a shallow region of the crust, but clathrate hydrate in the remaining part of the crust can coexist with water ice. This is in sharp contrast to the surfaces of Europa and Ganymede, where the thin oxygen air coexists exclusively with pure ice.

Towards a quantum Monte Carlo for lattice systems

In this work we build the foundations of a quantum Monte Carlo as a stochastic numerical method to solve lattice many-body quantum systems with nearest-neighbor interactions at most. As motivation, we briefly describe the bilinear-biquadratic Heisenberg model with an external field, for spin-1 particles, as an effective Hamiltonian of the Bose-Hubbard model with an external quadratic Zeeman field in the Mott insulator phase at unit filling. Then, we discuss how to implement the world line Monte Carlo with local updates to circumvent the difficulties that arise on these type of systems by mapping the quantum partition function into the one of an effective classical model, in one additional dimension, given by the imaginary time evolution of the system. Such a mapping is performed by means of the Suzuki-Trotter decomposition, which transforms the original partition function into a summation of weights given by the classical configurations. Later, we present a set of observables that can be measured through this method and show how to use a Metropolis update scheme to accomplish the measurements. At last, we present the maximization of the configuration weights for three parameter sets as the first and relevant step to perform future measurements.