Fitxa persona

. International research stays, awards and other relevant actions As postdoc, I spent 3 years in the Univ. British Columbia (Vancouver, Canada), 7 months at the Univ. Paul Sabatier (Toulouse, France) and 3 months at the Univ. Basel (Switzerland). For postdoctoral work abroad and in Spain I obtained funding by competitive postdoctoral programs of the Generalitat Valenciana, Spain and the European Union (Marie Curie International Outgoing Fellowship). In this training experience I interacted with the most relevant theoretical physicists working in quantum materials and technologies. This allowed me to bring this background to the community of Molecular Magnetism in which I have been since then at the forefront of most of the theoretical developments. In Basel I produced my first scientific breakthrough on the topic of the electric control of magnetic molecules as quantum bits (Nature Nano. 2007, >300 citations). In my postdoc in Vancouver I produced a germinal theoretical work on the design of lanthanoid single-ion magnets based on polyoxometalates. This constituted my first achievement as group leader (JACS 2008, ~700 cits.) Participation in projects or research groups at the national or international level, contracts, patents or equivalent merits Since 2013, I have worked as a Ramon y Cajal grantee at the Instituto de Ciencia Molecular (ICMol), the only institute at the Valencian Community recognized as a 'Maria de Maeztu' excellence unit (on 2016-2019, and again on 2020-2023). Note that I am one of the six 'investigadores garantes' involved in this project. I have been PI of an ERC Consolidator Grant, 'A Chemical Approach to Molecular Spin Qubits: Decoherence and Organisation of Rare Earth Single Ion Magnets' (DECRESIM), which is ending on January 31, and co-PI of two national projects and a Generalitat Valenciana PROMETEO project. Furthermore, I have participated in >25 R+D+I research projects. My current research interests lie in the area of spin science and technology, more concretely in the theoretical modelling of molecular spin architectures for quantum computing. My group is strongly involved in the two European initiatives dealing with molecular spins for quantum computing: the QuantERA project SUMO (Scaling Up quantum computation with MOlecular spins) and the FET-OPEN project 'FAult Tolerant MOLecular Spin processor' (FATMOLS, 3 207 081 EUR: CSIC - Oxford - Valencia - Vienna - Keysight Technologies - Firenze - Stuttgart - Parma - Barcelona - IBM - Manchester)..

. Scientific publications and participation in outreach activities Author of ~80 scientific publications in high-impact peer-reviewed international journals, including Nature, Nature Chemistry, Nature Nanotechnology, Angew. Chem. Int. Ed., J. Am. Chem. Soc. (4), Chem. Sci. (6) and Phys. Rev. Lett. (2). My H-index is 31 with >50 citations per article on average and with 12 of them having >100 citations (according to Web of Science). I have made ~40 contributions to national and international conferences, including ~10 invited talks. 5 recent highlighted contributions: * Muhandis Shiddiq, Dorsa Komijani, Yan Duan, Alejandro Gaita-Ariño, Eugenio Coronado, Stephen Hill*, Enhancing coherence in molecular spin qubits via atomic clock transitions, Nature 2016, 531, 348-351, cites: 248 * Luis Escalera-Moreno, Nicolas Suaud, Alejandro Gaita-Arino*, Eugenio Coronado, Determining Key Local Vibrations in the Relaxation of Molecular Spin Qubits and Single-Molecule Magnets, J. Phys. Chem. Lett. 2017, 8, 7, 1695-1700, cites: 68 * 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, Chem. Sci., 2018, 9, 3265-3275, cites: 97 * Alejandro Gaita-Ariño*, Fernando Luis*, Stephen Hill*, Eugenio Coronado*, Molecular spins for quantum computation, Nature Chemistry 2019, 11, 301-309, cites: 111 * Ramón Torres-Cavanillas, Garin Escorcia-Ariza, Isaac Brotons-Alcázar, Roger Sanchis-Gual, Prakash Chandra Mondal, Lorena E Rosaleny, Silvia Giménez-Santamarina, Michele Sessolo, Marta Galbiati, Sergio Tatay, Alejandro Gaita-Ariño,* Alicia Forment-Aliaga*, Salvador Cardona-Serra*, Reinforced Room-Temperature Spin Filtering in Chiral Paramagnetic Metallopeptides, J. Am. Chem. Soc. 2020, 142, 41, 17572-17580, cites: 1 I am involved in numerous outreach activities, including online publications and outreach conferences. I have also published outreach articles in the Revista Española de Física (2), in the Anales de la Real Sociedad Española de Química (1) and in Quantum Views (1) by participating in the pilot outreach project 'Quantum Leaps'. In 2017 the Real Sociedad Española de Física awarded me the 'Premio al Mejor Artículo Divulgativo en las Publicaciones de la RSEF'. Ability to lead projects and supervise PhDs Five Early Career Reasearchers (predocs) have worked directly with me and benefited from my thesis supervision and mentorship: M. A. AlDamen (2008), S. Cardona-Serra (2013), J. J. Baldoví (2016), L. Escalera (2020) and A. Ullah (ongoing). M.A.A. is now Full Professor in the Jordan Univ., S.C.S obtained after his postdoc a Juan de la Cierva contract and in 2020 successfully passed phase 1 of the ERC Starting (StG) grant. J.J.B. obtained a Marie Curie postdoc and a CDEIGENT contract and is also applying now for an ERC StG. During these years these predocs have been critically involved in all of my major theoretical breakthroughs: M.A.A and then S.C.S kick-started the work on Single-Ion Magnets based on lanthanides, while the highly influencial theoretical work of J.J.B. enabling an inexpensive simulation of the ligand field in these nanomagnets. These achievements put me in a position to obtain an ERC Consolidator Grant in which L.E has played a key role thanks to his work on spin dynamics and coupling of spin states to lattice and molecular vibrations. This approach is now continued and expanded by A.U...

. Software for materials modelling · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · Coauthored an inexpensive discrete atomistic model technique for studying excitations on infinite disordered media (International Journal for Numerical Methods in Engineering, 2015, 103 (7), 535-546)), a technique for modeling excitations in non-crystalline materials, a problem of practical interest but computationally very expensive in general. · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · · ·Coauthored SIMPRE: a software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions (J. J. Baldoví et al, Journal of Computational Chemistry, 2013, 34, 1961-1967; J. J. Baldoví et al, Journal of Computational Chemistry, 2014, 35, 1930-1934; S. Cardona-Serra et al, Journal of Computational Chemistry, 2016, 37, 1238-1244), and updates extending its capabilities. SIMPRE is mainly used to efficiently estimate magnetic properties in lanthanide compounds and has been shown to produce reliable results with a computational cost that is several orders of magnitude cheaper than competing programs. SIMPRE has been requested by (and shared with) researchers in >50 research centers all over the world.

. 10 highlighted contributions: * Jörg Lehmann, Alejandro Gaita-Arin̄o, Eugenio Coronado & Daniel Loss*, Spin qubits with electrically gated polyoxometalate molecules, Nature Nanotechnology 2007, 2, 312-317 cites:334 * Murad A. AlDamen, Juan M. Clemente-Juan, Eugenio Coronado,*¿ Carlos Martí-Gastaldo, and Alejandro Gaita-Ariño*, Mononuclear lanthanide single-molecule magnets based on polyoxometalates, J. Am. Chem. Soc. 2008, 130, 28, 8874-8875, cites: 679 * Murad A AlDamen, Salvador Cardona-Serra, Juan M Clemente-Juan, Eugenio Coronado*, Alejandro Gaita-Arino, Carlos Marti-Gastaldo, Fernando Luis, Oscar Montero, Mononuclear Lanthanide Single Molecule Magnets Based on the Polyoxometalates [Ln(W5O18)(2)](9-) and [Ln(beta(2)-SiW11O39)(2)](13-) (Ln(III) = Tb, Dy, Ho, Er, Tm, and Yb), Inorg. Chem. 2009, 48, 8, 3467-3479, cites:372 * Juan M. Clemente-Juan , Eugenio Coronado * and Alejandro Gaita-Ariño, Magnetic polyoxometalates: from molecular magnetism to molecular spintronics and quantum computing, Chem. Soc. Rev., 2012, 41, 7464-7478, cites: 478 * José J. Baldoví, Salvador Cardona-Serra, Juan M. Clemente-Juan, Eugenio Coronado*, Alejandro Gaita-Ariño*, and Andrew Palii, Rational Design of Single-Ion Magnets and Spin Qubits Based on Mononuclear Lanthanoid Complexes, Inorg. Chem. 2012, 51, 22, 12565-12574, cites: 161 * Muhandis Shiddiq, Dorsa Komijani, Yan Duan, Alejandro Gaita-Ariño, Eugenio Coronado, Stephen Hill*, Enhancing coherence in molecular spin qubits via atomic clock transitions, Nature 2016, 531, 348-351, cites: 248 * Luis Escalera-Moreno, Nicolas Suaud, Alejandro Gaita-Arino*, Eugenio Coronado, Determining Key Local Vibrations in the Relaxation of Molecular Spin Qubits and Single-Molecule Magnets, J. Phys. Chem. Lett. 2017, 8, 7, 1695-1700, cites: 68 * 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, Chem. Sci., 2018, 9, 3265-3275, cites: 96 * Alejandro Gaita-Ariño*, Fernando Luis*, Stephen Hill*, Eugenio Coronado*, Molecular spins for quantum computation, Nature Chemistry 2019, 11, 301-309, cites: 110 * Ramón Torres-Cavanillas, Garin Escorcia-Ariza, Isaac Brotons-Alcázar, Roger Sanchis-Gual, Prakash Chandra Mondal, Lorena E Rosaleny, Silvia Giménez-Santamarina, Michele Sessolo, Marta Galbiati, Sergio Tatay, Alejandro Gaita-Ariño,* Alicia Forment-Aliaga*, Salvador Cardona-Serra*, Reinforced Room-Temperature Spin Filtering in Chiral Paramagnetic Metallopeptides, J. Am. Chem. Soc. 2020, 142, 41, 17572-17580, cites: 1.

. Senior postdoc, PI.