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A Chemical Approach to Molecular Spin Qubits: Decoherence and Organisation of Rare Earth Single Ion Magnets

Total Cost €


EC-Contrib. €






Project "DECRESIM" data sheet

The following table provides information about the project.


Organization address
postcode: 46010

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Spain [ES]
 Project website
 Total cost 1˙827˙375 €
 EC max contribution 1˙827˙375 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2014-CoG
 Funding Scheme ERC-COG
 Starting year 2015
 Duration (year-month-day) from 2015-08-01   to  2020-07-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITAT DE VALENCIA ES (VALENCIA) coordinator 1˙827˙375.00


 Project objective

'Coordination Chemistry and Molecular Magnetism are in an ideal position for the rational design of Single-Molecule Magnets which can be used as molecular spin qubits, the irreducible components of any quantum technology. Indeed, a major advantage of molecular spin qubits over other candidates stems from the power of Chemistry for a tailored and inexpensive synthesis of systems for their experimental study. In particular, the so-called Lanthanoid-based Single-Ion Magnets, which are currently the hottest topic in Molecular Magnetism, have the potential to be chemically designed, tuning both their single-molecule properties and their crystalline environment. This will allow the independent study of the different quantum processes that cause the loss of quantum information, collectively known as decoherence. The study of quantum decoherence processes in the solid state is necessary both to lay the foundations for next-generation quantum technologies and to answer some fundamental questions. The goals of this project are: #1 To unravel the mechanistic details of decoherence in molecular spin qubits based on mononuclear lanthanoid complexes. This study will stablish criteria for the rational design of single spin qubits. #2 To extend this study to the coupling between two or more spin qubits. This will allow us to explore the use of polynuclear lanthanoid complexes to achieve quantum gates or simple algorithms. #3 To extrapolate to infinite systems formed by the complex organization of spin qubits. This exploratory goal will permit us to move beyond zero-dimensional systems, thus facilitating the advance towards complex quantum functions. '


year authors and title journal last update
List of publications.
2019 Luis Escalera-Moreno, Alejandro Gaita-Ariño, Eugenio Coronado
Decoherence from dipolar interspin interactions in molecular spin qubits
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.100.064405
Physical Review B 100/6 2020-04-24
2019 Luis Escalera-Moreno, José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado
Exploring the High-Temperature Frontier in Molecular Nanomagnets: From Lanthanides to Actinides
published pages: 11883-11892, ISSN: 0020-1669, DOI: 10.1021/acs.inorgchem.9b01610
Inorganic Chemistry 58/18 2020-04-24
2020 Luis Escalera-Moreno, José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado
Design of high-temperature f -block molecular nanomagnets through the control of vibration-induced spin relaxation
published pages: 1593-1598, ISSN: 2041-6520, DOI: 10.1039/c9sc03133b
Chemical Science 11/6 2020-04-24
2015 Maria A. Antunes, Joana T. Coutinho, Isabel C. Santos, Joaquim Marçalo, Manuel Almeida, José J. Baldoví, Laura C. J. Pereira, Alejandro Gaita-Ariño, Eugenio Coronado
A Mononuclear Uranium(IV) Single-Molecule Magnet with an Azobenzene Radical Ligand
published pages: 17817-17826, ISSN: 0947-6539, DOI: 10.1002/chem.201503133
Chemistry - A European Journal 21/49 2020-04-24
2019 Lorena E. Rosaleny, Kirill Zinovjev, Iñaki Tuñón, Alejandro Gaita-Ariño
A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules
published pages: 10908-10913, ISSN: 1463-9076, DOI: 10.1039/c9cp01909j
Physical Chemistry Chemical Physics 21/21 2020-04-24
2015 V. F. González-Albuixech, A. Gaita-Ariño
Inexpensive discrete atomistic model technique for studying excitations on infinite disordered media: The case of orientational glass ArN 2
published pages: 535-546, ISSN: 0029-5981, DOI: 10.1002/nme.4917
International Journal for Numerical Methods in Engineering 103/7 2020-04-24
2019 Silvia Giménez-Santamarina, Salvador Cardona-Serra, Alejandro Gaita-Ariño
Theoretical insights on the importance of anchoring vs molecular geometry in magnetic molecules acting as junctions
published pages: 212-216, ISSN: 0304-8853, DOI: 10.1016/j.jmmm.2019.04.066
Journal of Magnetism and Magnetic Materials 485 2020-04-03
2019 Qing Zhang, Michael L. Baker, Shiqi Li, Myriam P. Sarachik, José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado, Dimitris I. Alexandropoulos, Theocharis C. Stamatatos
Experimental determination of single molecule toroic behaviour in a Dy 8 single molecule magnet
published pages: 15131-15138, ISSN: 2040-3364, DOI: 10.1039/c9nr05182a
Nanoscale 11/32 2020-04-03
2018 Walter Cañon-Mancisidor, Sara G. Miralles, José J. Baldoví, Guillermo Mínguez Espallargas, Alejandro Gaita-Ariño, Eugenio Coronado
Sublimable Single Ion Magnets Based on Lanthanoid Quinolinate Complexes: The Role of Intermolecular Interactions on Their Thermal Stability
published pages: 14170-14177, ISSN: 0020-1669, DOI: 10.1021/acs.inorgchem.8b02080
Inorganic Chemistry 57/22 2020-04-01
2019 Aman Ullah, Jesús Cerdá, José J. Baldoví, Sergey A. Varganov, Juan Aragó, Alejandro Gaita-Ariño
In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations
published pages: 7678-7683, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.9b02982
The Journal of Physical Chemistry Letters 10/24 2020-04-01
2018 Jose A. Carrasco, Salvador Cardona-Serra, Juan Modesto Clemente-Juan, Alejandro Gaita-Ariño, Gonzalo Abellán, Eugenio Coronado
Deciphering the Role of Dipolar Interactions in Magnetic Layered Double Hydroxides
published pages: 2013-2022, ISSN: 0020-1669, DOI: 10.1021/acs.inorgchem.7b02928
Inorganic Chemistry 57/4 2019-05-31
2016 José J. Baldoví, Yan Duan, Roser Morales, Alejandro Gaita-Ariño, Eliseo Ruiz, Eugenio Coronado
Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models
published pages: 13532-13539, ISSN: 0947-6539, DOI: 10.1002/chem.201601741
Chemistry - A European Journal 22/38 2019-05-31
2018 S. Cardona-Serra, A. Gaita-Ariño
Vanadyl dithiolate single molecule transistors: the next spintronic frontier?
published pages: , ISSN: 1477-9226, DOI: 10.1039/C8DT00139A
Dalton Transactions 2019-05-31
2017 M. D. Jenkins, Y. Duan, B. Diosdado, J. J. García-Ripoll, A. Gaita-Ariño, C. Giménez-Saiz, P. J. Alonso, E. Coronado, F. Luis
Coherent manipulation of three-qubit states in a molecular single-ion magnet
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.95.064423
Physical Review B 95/6 2019-05-31
2018 Sara G. Miralles, Amilcar Bedoya-Pinto, José J. Baldoví, Walter Cañon-Mancisidor, Yoann Prado, Helena Prima-Garcia, Alejandro Gaita-Ariño, Guillermo Mínguez Espallargas, Luis E. Hueso, Eugenio Coronado
Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes
published pages: 199-208, ISSN: 2041-6520, DOI: 10.1039/C7SC03463F
Chemical Science 9/1 2019-05-31
2017 L. Escalera-Moreno, N. Suaud, A. Gaita-Ariño, E. Coronado
Determining Key Local Vibrations in the Relaxation of Molecular Spin Qubits and Single-Molecule Magnets
published pages: 1695-1700, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.7b00479
The Journal of Physical Chemistry Letters 8/7 2019-05-31
2017 Andrew Palii, Sergey Aldoshin, Boris Tsukerblat, Juan Modesto Clemente-Juan, Alejandro Gaita-Ariño, Eugenio Coronado
Electric field controllable magnetic coupling of localized spins mediated by itinerant electrons: a toy model
published pages: 26098-26106, ISSN: 1463-9076, DOI: 10.1039/C7CP03872K
Physical Chemistry Chemical Physics 19/38 2019-05-31
2017 Kwang Soo Lim, José J. Baldoví, ShangDa Jiang, Bong Ho Koo, Dong Won Kang, Woo Ram Lee, Eui Kwan Koh, Alejandro Gaita-Ariño, Eugenio Coronado, Michael Slota, Lapo Bogani, Chang Seop Hong
Custom Coordination Environments for Lanthanoids: Tripodal Ligands Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based Molecular Nanomagnets
published pages: 4911-4917, ISSN: 0020-1669, DOI: 10.1021/acs.inorgchem.6b03118
Inorganic Chemistry 56/9 2019-05-31
2018 Luis Escalera-Moreno, José J. Baldoví, Alejandro Gaita-Ariño, Eugenio Coronado
Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective
published pages: 3265-3275, ISSN: 2041-6520, DOI: 10.1039/C7SC05464E
Chemical Science 9/13 2019-05-31
2018 Salvador Cardona-Serra, Alejandro Gaita-Ariño, Efrén Navarro-Moratalla, Stefano Sanvito
Proposal for a Dual Spin Filter Based on [VO(C 3 S 4 O) 2 ] 2–
published pages: 6417-6421, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.7b12477
The Journal of Physical Chemistry C 122/11 2019-05-31
2017 S. Cardona-Serra, A. Gaita-Ariño, M. Stamenova, S. Sanvito
Theoretical Evaluation of [V IV (α-C 3 S 5 ) 3 ] 2– as Nuclear-Spin-Sensitive Single-Molecule Spin Transistor
published pages: 3056-3060, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.7b01376
The Journal of Physical Chemistry Letters 8/13 2019-05-31
2016 Salvador Cardona-Serra, Luis Escalera-Moreno, José J. Baldoví, Alejandro Gaita-Ariño, Juan M. Clemente-Juan, Eugenio Coronado
SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence
published pages: 1238-1244, ISSN: 0192-8651, DOI: 10.1002/jcc.24313
Journal of Computational Chemistry 37/13 2019-05-31
2018 Lorena E. Rosaleny, Salvador Cardona-Serra, Luis Escalera-Moreno, José J. Baldoví, Violetta Gołȩbiewska, Karolina Wlazło, Patricia Casino, Helena Prima-García, Alejandro Gaita-Ariño, Eugenio Coronado
Peptides as Versatile Platforms for Quantum Computing
published pages: 4522-4526, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.8b01813
The Journal of Physical Chemistry Letters 9/16 2019-04-18
2016 José J Baldoví, Yan Duan, Carlos Bustos, Salvador Cardona-Serra, Pierre Gouzerh, Richard Villanneau, Geoffrey Gontard, Juan M Clemente-Juan, Alejandro Gaita-Ariño, Carlos Giménez-Saiz, Anna Proust, Eugenio Coronado
Single ion magnets based on lanthanoid polyoxomolybdate complexes
published pages: 16653-16660, ISSN: 1477-9226, DOI: 10.1039/c6dt02258h
Dalton Transactions 45 2019-05-31
2016 Alejandro Gaita-Ariño, Helena Prima-García, Salvador Cardona-Serra, Luis Escalera-Moreno, Lorena E. Rosaleny, José J. Baldoví
Coherence and organisation in lanthanoid complexes: from single ion magnets to spin qubits
published pages: , ISSN: 2052-1553, DOI: 10.1039/C5QI00296F
Inorg. Chem. Front. 2019-05-31
2016 Kwang Soo Lim, José J Baldoví, Woo Ram Lee, Jeong Hwa Song, Sung Won Yoon, Byoung Jin Suh, Eugenio Coronado, Alejandro Gaita-Ariño, Chang Seop Hong
Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density
published pages: 5398-5404, ISSN: 0020-1669, DOI: 10.1021/acs.inorgchem.6b00410
Inorganic chemistry 55 2019-05-31
2016 Muhandis Shiddiq, Dorsa Komijani, Yan Duan, Alejandro Gaita-Ariño, Eugenio Coronado, Stephen Hill
Enhancing coherence in molecular spin qubits via atomic clock transitions
published pages: 348-351, ISSN: 0028-0836, DOI: 10.1038/nature16984
Nature 531/7594 2019-05-31
2015 José J. Baldoví, Lorena E. Rosaleny, Vasanth Ramachandran, Jonathan Christian, Naresh S. Dalal, Juan M. Clemente-Juan, Peng Yang, Ulrich Kortz, Alejandro Gaita-Ariño, Eugenio Coronado
Molecular spin qubits based on lanthanide ions encapsulated in cubic polyoxopalladates: design criteria to enhance quantum coherence
published pages: 893-897, ISSN: 2052-1553, DOI: 10.1039/C5QI00142K
Inorg. Chem. Front. 2/10 2019-05-31
2016 Lorena E. Rosaleny, Alejandro Gaita-Ariño
Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits
published pages: 61-66, ISSN: 2052-1553, DOI: 10.1039/C5QI00127G
Inorg. Chem. Front. 3/1 2019-05-31

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