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Graph Theory and Its Applications in Quantum Mechanics

A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Quantum Information".

Deadline for manuscript submissions: 31 July 2026 | Viewed by 2235

Special Issue Editor


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Guest Editor
Departamento de Matemática e Estatística, Universidade Estadual de Ponta Grossa, Ponta Grossa 84030900, PR, Brazil
Interests: quantum graphs; quantum walks; spin chains; state transfer; quantum correlations; scattering

Special Issue Information

Dear Colleagues,

Over recent decades, there has been a growing interest in the interplay between quantum mechanics and graph theory. This rich and diverse area encompasses topics ranging from the modeling of nanoscale devices, such as spin chains, to the understanding of natural processes like energy transfer in biological systems. Moreover, quantum networks and devices governed by the laws of quantum mechanics are becoming increasingly feasible, offering new opportunities for both fundamental studies and technological applications.

Numerous concepts from graph theory have been successfully applied to quantum systems, including the study of correlations, entanglement structures, transport phenomena, and the dynamics of composite systems. In many cases, these systems are naturally represented as graphs, and quantum dynamics on graphs (which can be simulated efficiently even on standard personal computers) offer valuable insights into both the physical behavior of the system and the mathematical properties of the underlying graphs.

Several research directions illustrate this vibrant interface. Graph states form a class of multipartite entangled states associated with graphs, encompassing paradigmatic examples such as GHZ and cluster states. Quantum walks, describing the evolution of quantum particles on graphs, have become important tools in quantum computing and algorithm development. Quantum graphs, originally inspired by the Kronig–Penney model, have been widely applied to study transport phenomena, scattering, wave propagation, and quantum chaos. Furthermore, quantum graphs have recently found applications as effective models for wave filtering devices and metamaterials, where their topological and spectral properties can be engineered to achieve specific control over wave transmission and localization. Additionally, spin chains continue to be intensively investigated as promising platforms for quantum state transfer, with graph-theoretic methods playing a crucial role in optimizing their performance.

This Special Issue seeks to highlight recent developments at the interface of graph theory and quantum mechanics and invites submissions of original research articles as well as comprehensive reviews. Topics of interest include, but are not limited to, the following:

  • Quantum graphs and wave dynamics in network-like structures;
  • Quantum walks and their computational applications;
  • Graph states and multipartite entanglement ;
  • Quantum state transfer in spin chains and graph-based architectures;
  • Quantum communication and network routing on graphs;
  • Applications of graph theory to quantum chaos, filtering, and metamaterials.

Dr. Fabiano Manoel de Andrade
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Entropy is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • graph theory
  • quantum graphs
  • quantum walks
  • graph states
  • quantum state transfer
  • spin chains
  • quantum networks
  • quantum transport
  • filtering devices
  • metamaterials

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Published Papers (2 papers)

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Research

16 pages, 526 KB  
Article
Symmetric and Antisymmetric Quantum States from Graph Structure and Orientation
by Matheus R. de Jesus, Eduardo O. C. Hoefel and Renato M. Angelo
Entropy 2026, 28(4), 386; https://doi.org/10.3390/e28040386 - 1 Apr 2026
Viewed by 369
Abstract
Graph states provide a powerful framework for describing multipartite entanglement in quantum information science. In their standard formulation, graph states are generated by controlled-Z interactions and naturally encode symmetric exchange properties. Here we establish a precise correspondence between graph topology and exchange [...] Read more.
Graph states provide a powerful framework for describing multipartite entanglement in quantum information science. In their standard formulation, graph states are generated by controlled-Z interactions and naturally encode symmetric exchange properties. Here we establish a precise correspondence between graph topology and exchange symmetry by proving that a graph state is fully symmetric under particle permutations if and only if the underlying graph is complete. We then introduce a generalized graph-based construction using a non-commutative two-qudit gate, denoted GR, which requires directed edges and an explicit vertex ordering. We show that complete directed graphs generate fully antisymmetric multipartite states when endowed with appropriate orientations. Together, these results provide a unified graph-theoretic description of bosonic and fermionic exchange symmetry based on graph completeness and edge orientation. Full article
(This article belongs to the Special Issue Graph Theory and Its Applications in Quantum Mechanics)
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18 pages, 1057 KB  
Article
Optimal Complexity of Parameterized Quantum Circuits
by Guilherme I. Correr, Pedro C. Azado, Diogo O. Soares-Pinto and Gabriel G. Carlo
Entropy 2026, 28(1), 73; https://doi.org/10.3390/e28010073 - 8 Jan 2026
Viewed by 733
Abstract
Parameterized quantum circuits are central to the development of variational quantum algorithms in the NISQ era. A key feature of these circuits is their ability to generate an expressive set of quantum states, enabling the approximation of solutions to diverse problems. The expressibility [...] Read more.
Parameterized quantum circuits are central to the development of variational quantum algorithms in the NISQ era. A key feature of these circuits is their ability to generate an expressive set of quantum states, enabling the approximation of solutions to diverse problems. The expressibility of such circuits can be assessed by analyzing the ensemble of states produced when their parameters are randomly sampled, a property closely tied to quantum complexity. In this work, we compare different classes of parameterized quantum circuits with a prototypical family of universal random circuits to investigate how rapidly they approach the asymptotic complexity defined by the Haar measure. We find that parameterized circuits exhibit faster convergence in terms of the number of gates required, as quantified through expressibility and majorization-based complexity measures. Moreover, the topology of qubit connections proves crucial, significantly affecting entanglement generation and, consequently, complexity growth. The majorization criterion emerges as a valuable complementary tool, offering distinct insights into the behavior of random state generation in the considered circuit families. Full article
(This article belongs to the Special Issue Graph Theory and Its Applications in Quantum Mechanics)
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