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Dr. Alessandro Lunghi

Assistant Professor (Physics)
      
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Dr. Alessandro Lunghi

Assistant Professor (Physics)

 lunghia@tcd.ie

 


After a BSc and a MSc in Chemistry, Alessandro was awarded a PhD from the University of Florence, Italy, in 2016. He then moved to the School of Physics at Trinity College Dublin, where he began his postdoc activity in the group of Prof. Sanvito. His research interests lie at the boundary between spin relaxation theory, quantum science, and machine learning for new materials design. In 2020 he was awarded an ERC Starting Grant to pursue his own research vision. Alessandro is now leading a growing research group that works in the development of artificial intelligence methods for the design of new magnetic molecules for quantum technologies. Since February 2021 he holds the positions of Assistant Professor in Physics at Trinity College Dublin and of Funded Investigator at the Amber Research Centre.
  AB INITIO QUANTUM CHEMICAL METHODS AND CALCULATIONS   Magnetism and spin electronics   quantum coherence   QUANTUM-SYSTEMS   SPIN DYNAMICS   SPIN LATTICE RELAXATION
Project Title
 Computational design of Gadolinium-based paramagnetic contrast agents
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Summary
Funding Agency
Irish Research Council

Details Date
I served as editor for a special issue in the society-driven journal Magnetochemistry. https://www.mdpi.com/journal/magnetochemistry/special_issues/Computational_Modelling_Magnetic_Molecules_Materials 2021
PhD thesis reader for the University of Melbourne 2021
External PhD thesis reader and defence committee for the University of Manchester 2022
External PhD thesis reader for the University of Parma 2023
External PhD thesis reader for the University of Florence 2024
External PhD thesis reader for the University of Parma 2025
External PhD thesis reader and defence committee for the University of Florence 2026
External PhD thesis reader and defence committee for the ATU Sligo 2026
Reviewer for the following journals: PNAS; AAAS: Science Advances; NPJ: Nature Review Chemistry, Nature Materials, Nature Nanotechnology, Nature Chemistry, Nature Communications, npj Compu- tational Materials, npj Quantum Information; RSC: Chemical Science, Chemical Communications, Dalton Transactions; Physical Chemistry Chemical Physics, RSC Advances, New Journal of Chem- istry; ACS: The Journal of the American Chemical Society, ACS Central Science, The Journal of Physical Chemistry Letters, Inorganic Chemistry, The Journal of Physical Chemistry; Wiley: Angewandte Chemie, Advanced Quantum Technologies; APS: Physical Review Letters; AIP: The Journal of Chemical Physics, Applied Physics Letters Quantum; IOP: Machine Learning for Science and Technology, Europhysics Letters; CELL Press: Chem, Matter, Trends in Chemistry. 2014-Present
Grant application reviewer for the following funding agencies: European Research Council (StG, AdV, SyG), ERC Labex Nie Strasburg; Czech Science Foundation; Swiss National Science Foundation; Royal Society; USA Department of Energy 2021-Present
I am a member of the Users Council of ICHEC (Irish centre for high-end computing) 2024-Present
Language Skill Reading Skill Writing Skill Speaking
English Fluent Fluent Fluent
Italian Fluent Fluent Fluent
Details Date From Date To
Royal Society of Chemistry 2024 2025
American Chemical Society Membership 2025 2026
Alessandro Lunghi, A unified ab initio theory of spin-phonon relaxation and decoherence uncovers fast dephasing in magnetic molecules, Science Advances, 12, (12), 2026, peaeb3868 , Journal Article, PUBLISHED
QC Luo, LA Mariano, WJ Xu, ZH Li, KX Yu, Y Peng, A Lunghi, YZ Zheng, Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K, The Journal of the American Chemical Society, 148, (16), 2026, p17408-17419 , Journal Article, PUBLISHED
Frangoulis, Lion; Mariano, Lorenzo A.; Nguyen, Vu Ha Anh; Khatibi, Zahra; Lunghi, Alessandro, Maximizing the magnetic anisotropy of Dy complexes by fine tuning organic ligands: A systematic multireference high-throughput exploration of over 25k molecules, The Journal of the American Chemical Society, 2026, Notes: [Accepted for publication], Journal Article, ACCEPTED
Arup Sarkar and Alessndro Lunghi, A Multireference Picture of Electronic Excited States in Vanadyl and Copper Tetraphenyl Porphyrin Molecular Qubits, The Journal of Physical Chemistry A, 129, (31), 2025, p7160 - 7169, Journal Article, PUBLISHED  DOI  URL
Lorenzo A. Mariano, Nguyen Vu Ha Anh, Jonatan B. Petersen, Magnus Bjørnsson, Jesper Bendix, Gareth R. Eaton, Sandra S. Eaton, Alessandro Lunghi, The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules, Science Advances, 11, (7), 2025, peadr0168 - eadr0168, peadr0168-eadr0168 , Journal Article, PUBLISHED  DOI
Valerio Briganti, Alessandro Lunghi, A machine-learning framework for accelerating spin-lattice relaxation simulations, npj Computational Materials, 11, (1), 2025, p62 - 62, p62-62 , Journal Article, PUBLISHED  DOI
Soumi Haldar, Lorenzo A. Mariano, Alessandro Lunghi, Laura Gagliardi, Role of Electron Correlation beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation, Journal of Chemical Theory and Computation, 21, (6), 2025, p2829 - 2838, p2829-2838 , Journal Article, PUBLISHED  DOI
Sourav Mondal, Julia Netz, David Hunger, Simon Suhr, Biprajit Sarkar, Joris van Slageren, Andreas Köhn, Alessandro Lunghi, The Spin-Phonon Relaxation Mechanism of Single-Molecule Magnets in the Presence of Strong Exchange Coupling, ACS Central Science, 11, (4), 2025, p550 - 559, p550-559 , Journal Article, PUBLISHED  DOI
Matteo Atzori, Alessandro Lunghi, Optical control of spin states in magnetic molecules, Trends in Chemistry, 7, (8), 2025, p413 - 416, p413-416 , Journal Article, PUBLISHED  DOI
Tanu Sharma, Rupesh Kumar Tiwari, Sourav Dey, Lorenzo A. Mariano, Alessandro Lunghi, Gopalan Rajaraman, The mechanism of spin-phonon relaxation in endohedral metallofullerene single molecule magnets, Chemical Science, 16, (28), 2025, p13012 - 13021, p13012-13021 , Journal Article, PUBLISHED  DOI
  

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Award Date
Intel Rising Star Award 2022
ADocMolMag award for the best PhD thesis in molecular magnetism 2018