Special Issue "Molecules in Quantum Information"

A special issue of Magnetochemistry (ISSN 2312-7481).

Deadline for manuscript submissions: closed (15 February 2017).

Special Issue Editor

Guest Editor
Dr. Floriana Tuna

School of Chemistry and Photon Science Institute, University of Manchester, Oxford Road, Manchester M13 9PL, UK
Website | E-Mail
Phone: +44-161-2751005
Interests: molecular magnetism; electron paramagnetic resonance; single molecule magnets; molecular spin qubits; magnetic anisotropy; transition metal coordination chemistry; actinide chemistry; lanthanides; bistable materials; spin crossover

Special Issue Information

Dear Colleagues,

In recent years there have been great advances in the quantum information field. Experimental realization of a quantum computer or simulator that would give a massively increased computation power proves however to be very challenging. The aim of this collection is to capture the latest advances in molecular spin systems proposed for quantum information processing (QIP).

The key concept in QIP is that a quantum bit (qubit) may be not just 0 or 1, as in ordinary computer bits, but an arbitrary superposition of 0 and 1. Any two-level system is a qubit candidate assuming it can be put in a superposition state. The contribution of each of the two levels to the superposition state has a cyclic dependence on the microwave radiation pulse length used to generate the superposition state. The observation of such Rabi oscillations in a given system is a proof-of-principle for its ability to execute quantum computation. A major challenge is bringing together sufficient interacting qubits to carry out the necessary algorithms, while retaining their identity.

This Special Issue aims to publish a collection of forefront research articles that will expose the latest achievements in the study, theory and development of molecular spin systems that impact the quantum information and spintronics fields. We are particularly interested in, and invite colleagues to submit, original research articles that will fit in one of the topics listed below.

Dr. Floriana Tuna
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 papers will be 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 100 words) can be sent to the Editorial Office for announcement on this website.

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. Magnetochemistry is an international peer-reviewed open access quarterly 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 1000 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

  • Chemical approaches to molecular spin qubits
  • Qubit assemblies and interactions
  • Quantum entanglement and coherence
  • Electron spin systems as qubits
  • Molecular nanomagnets for quantum information
  • Functional single-molecule magnets
  • Molecular quantum spintronics
  • Measurement of quantum coherence and Rabi oscillations
  • Quantum logic gates and computational schemes
  • Device design, performance and reliability

Published Papers (8 papers)

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Research

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Open AccessArticle
Magnetic Behavior of Carboxylate and β-Diketonate Lanthanide Complexes Containing Stable Organometallic Moieties in the Core-Forming Ligand
Magnetochemistry 2016, 2(4), 38; https://doi.org/10.3390/magnetochemistry2040038
Received: 28 July 2016 / Revised: 26 September 2016 / Accepted: 28 September 2016 / Published: 10 October 2016
Cited by 8 | PDF Full-text (4108 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Information concerning the structures of compounds of rare earth elements with carboxylic acids and a β-diketone containing stable organometallic moieties that we obtained previously is presented. Additional results for 15 complexes with the [Gd2O2] core allowed confirming and improving [...] Read more.
Information concerning the structures of compounds of rare earth elements with carboxylic acids and a β-diketone containing stable organometallic moieties that we obtained previously is presented. Additional results for 15 complexes with the [Gd2O2] core allowed confirming and improving the correlation between JGd–Gd′ and the Gd…Gd distance for complexes of this type that we found earlier. For the first time, dc and ac magnetic measurements were carried out for the formerly-described complex [Dy2(O2CCym)4(NO3)2(DMSO)4] (2), Cym = (η5-C5H4)Mn(CO)3), and two new binuclear complexes, namely [Dy2(O2CFc)4(NO3)2(DMSO)4] (3), and [Dy2(O2CFc)6(DMSO)2(H2O)2] (4), Fc = (η5-C5H4)Fe(η5-C5H5)). For binuclear [Dy2(O2CCym)6(DMSO)4] (1), as well as for a 1D-polymer [Dy(O2CCym)(acac)2(H2O)]n (6), ac magnetic measurements were carried out more precisely. The characteristics of a single-molecule magnet and of a single-chain magnet were determined for Complexes 2 and 6, respectively. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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Open AccessFeature PaperArticle
Supramolecular Complexes for Quantum Simulation
Magnetochemistry 2016, 2(4), 37; https://doi.org/10.3390/magnetochemistry2040037
Received: 29 July 2016 / Revised: 20 September 2016 / Accepted: 26 September 2016 / Published: 1 October 2016
Cited by 3 | PDF Full-text (947 KB) | HTML Full-text | XML Full-text
Abstract
Simulating the evolution of quantum systems on a classical computer is a yellow very challenging task, which could be easily tackled by digital quantum simulators. These are intrinsically quantum devices whose parameters can be controlled in order to mimic the evolution of a [...] Read more.
Simulating the evolution of quantum systems on a classical computer is a yellow very challenging task, which could be easily tackled by digital quantum simulators. These are intrinsically quantum devices whose parameters can be controlled in order to mimic the evolution of a broad class of target Hamiltonians. We describe here a quantum simulator implemented on a linear register of molecular Cr7Ni qubits, linked through Co2+ ions which act as switches of the qubit–qubit interaction. This allows us to implement one- and two-qubit gates on the chain with high-fidelity, by means of uniform magnetic pulses. We demonstrate the effectiveness of the scheme by numerical experiments in which we combine several of these elementary gates to implement the simulation of the transverse field Ising model on a set of three qubits. The very good agreement with the expected evolution suggests that the proposed architecture can be scaled to several qubits. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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Open AccessFeature PaperArticle
Modulating the Slow Relaxation Dynamics of Binuclear Dysprosium(III) Complexes through Coordination Geometry
Magnetochemistry 2016, 2(3), 35; https://doi.org/10.3390/magnetochemistry2030035
Received: 30 August 2016 / Revised: 12 September 2016 / Accepted: 13 September 2016 / Published: 21 September 2016
Cited by 8 | PDF Full-text (2521 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
A class of two dinuclear dysprosium based complexes 1 and 2 were synthesized by employing salicyloylhydrazone derived pentadentate ligand (L). Structural analysis reveals that in complex 1, two DyIII centers are in muffin (Cs) coordination geometry while in [...] Read more.
A class of two dinuclear dysprosium based complexes 1 and 2 were synthesized by employing salicyloylhydrazone derived pentadentate ligand (L). Structural analysis reveals that in complex 1, two DyIII centers are in muffin (Cs) coordination geometry while in 2, one DyIII center is in bicapped square antiprism (D4d) and other one is in triangular dodecahedron (D2d) coordination geometry. AC magnetic susceptibility measurements disclose that complexes 1 and 2 exhibit single-molecule magnet (SMM) behavior, with effective energy barrier of 36.4 and 9.7 K, respectively. The overall studies reveal that small differences in the coordination environment around the DyIII centers played a significant role in the difference in relaxation dynamics of the complexes. In order to elucidate the role of intermolecular interactions between nearby DyIII centers in the magnetic relaxation behavior, a diamagnetic isostructural YIII analog (3) was synthesized and magnetic behavior was examined. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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Open AccessFeature PaperArticle
On the Use of Classical and Quantum Fisher Information in Molecular Magnetism
Magnetochemistry 2016, 2(3), 33; https://doi.org/10.3390/magnetochemistry2030033
Received: 30 July 2016 / Revised: 29 August 2016 / Accepted: 1 September 2016 / Published: 8 September 2016
Cited by 2 | PDF Full-text (3047 KB) | HTML Full-text | XML Full-text
Abstract
The present paper discusses the use of two information-theoretical quantities—namely, the classical and quantum Fisher information—in the context of molecular magnetism. These functions quantify the suitability of a given observable to the estimation of a physical parameter and provide the highest precision allowed [...] Read more.
The present paper discusses the use of two information-theoretical quantities—namely, the classical and quantum Fisher information—in the context of molecular magnetism. These functions quantify the suitability of a given observable to the estimation of a physical parameter and provide the highest precision allowed by quantum mechanics in such an estimation process. The quantum Fisher information also quantifies the degree of macroscopicity of a quantum state. As illustrative examples of such applications, we compute the classical and quantum Fisher information of the Fe 4 molecular nanomagnet, used as a probe of an applied magnetic field or as a platform for generating Schrödinger cat states. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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Review

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Open AccessFeature PaperReview
Recent Advances in Organic Radicals and Their Magnetism
Magnetochemistry 2016, 2(4), 42; https://doi.org/10.3390/magnetochemistry2040042
Received: 5 October 2016 / Revised: 18 November 2016 / Accepted: 22 November 2016 / Published: 30 November 2016
Cited by 16 | PDF Full-text (29988 KB) | HTML Full-text | XML Full-text
Abstract
The review presents an overview of the organic radicals that have been designed and synthesized recently, and their magnetic properties are discussed. The π-conjugated organic radicals such as phenalenyl systems, functionalized nitronylnitroxides, benzotriazinyl, bisthiazolyl, aminyl-based radicals and polyradicals, and Tetrathiafulvalene (TTF)-based H-bonded radicals [...] Read more.
The review presents an overview of the organic radicals that have been designed and synthesized recently, and their magnetic properties are discussed. The π-conjugated organic radicals such as phenalenyl systems, functionalized nitronylnitroxides, benzotriazinyl, bisthiazolyl, aminyl-based radicals and polyradicals, and Tetrathiafulvalene (TTF)-based H-bonded radicals have been considered. The examples show that weak supramolecular interactions play a major role in modulating the ferromagnetic and antiferromagnetic properties. The new emerging direction of zethrenes, organic polyradicals, and macrocyclic polyradicals with their attractive and discrete architectures has been deliberated. The magnetic studies delineate the singlet-triplet transitions and their corresponding energies in these organic radicals. We have also made an attempt to collate the major organic neutral radicals, radical ions and radical zwitterions that have emerged over the last century. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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Open AccessFeature PaperReview
The Rise of Single-Ion Magnets as Spin Qubits
Magnetochemistry 2016, 2(4), 40; https://doi.org/10.3390/magnetochemistry2040040
Received: 31 August 2016 / Revised: 8 October 2016 / Accepted: 25 October 2016 / Published: 16 November 2016
Cited by 14 | PDF Full-text (11359 KB) | HTML Full-text | XML Full-text
Abstract
Recent studies revealed that magnetic molecules with single spin centers showed exciting phenomena related to quantum information processing, such as long quantum coherence times and Rabi oscillations. In this review, we go over these phenomena according to the essential metal ions, from which [...] Read more.
Recent studies revealed that magnetic molecules with single spin centers showed exciting phenomena related to quantum information processing, such as long quantum coherence times and Rabi oscillations. In this review, we go over these phenomena according to the essential metal ions, from which we can see the development of single-ion magnets as spin qubits is booming, especially quantum coherence times have been significantly enhanced from nanoseconds to hundreds of microseconds in a short period. Hence, the correlations between the molecular structures and quantum coherence are becoming clearer. In this regard, some chemical approaches to designing better spin qubits have been discussed. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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Open AccessFeature PaperReview
Cr7Ni Wheels: Supramolecular Tectons for the Physical Implementation of Quantum Information Processing
Magnetochemistry 2016, 2(3), 36; https://doi.org/10.3390/magnetochemistry2030036
Received: 11 August 2016 / Revised: 14 September 2016 / Accepted: 15 September 2016 / Published: 21 September 2016
Cited by 3 | PDF Full-text (9045 KB) | HTML Full-text | XML Full-text
Abstract
The physical implementation of quantum information processing (QIP) is an emerging field that requires finding a suitable candidate as a quantum bit (qubit), the basic unit for quantum information, which can be organised in a scalable manner to implement quantum gates (QGs) capable [...] Read more.
The physical implementation of quantum information processing (QIP) is an emerging field that requires finding a suitable candidate as a quantum bit (qubit), the basic unit for quantum information, which can be organised in a scalable manner to implement quantum gates (QGs) capable of performing computational tasks. Supramolecular chemistry offers a wide range of chemical tools to bring together, with great control, different molecular building blocks in order to grow supramolecular assemblies that have the potential to achieve the current milestones in the field. In this review, we are particularly interested in the latest research developments on the supramolecular chemistry approach to QIP using {Cr7Ni} wheels as qubits for the physical implementation of QGs. Special emphasis will be given to the unique high degree of chemical tunability of this unique class of heterobimetallic octanuclear rings, which results in an attractive playground to generate aesthetically pleasing supramolecular assemblies of increasing structural complexity and interesting physical properties for quantum computing. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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Other

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Open AccessPerspective
Molecular Spins in the Context of Quantum Technologies
Magnetochemistry 2017, 3(1), 12; https://doi.org/10.3390/magnetochemistry3010012
Received: 13 January 2017 / Accepted: 13 February 2017 / Published: 25 February 2017
Cited by 20 | PDF Full-text (2282 KB) | HTML Full-text | XML Full-text
Abstract
Molecular spins have shown interesting quantum features, which make them potential candidates for the implementation of quantum information processing. New challenges related to possible applications in the broader class of quantum technologies are currently under discussion. Here, we revisit some key features trying [...] Read more.
Molecular spins have shown interesting quantum features, which make them potential candidates for the implementation of quantum information processing. New challenges related to possible applications in the broader class of quantum technologies are currently under discussion. Here, we revisit some key features trying to learn something from experiences in related fields. Full article
(This article belongs to the Special Issue Molecules in Quantum Information)
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