Lorenzo A. Mariano

Centre National de la Recherche Scientifique — France

Materials Science · Physical Sciences

9h-index256citations45works3.22yr avg
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Research Topics

Magnetism in coordination complexes(25), Lanthanide and Transition Metal Complexes(11), Metal-Organic Frameworks: Synthesis and Applications(10), Advanced Chemical Physics Studies(7), Machine Learning in Materials Science(6)

Publications45 total

Chiral Dysprosium-[7]Helicene Macrocycles Showing Record Single-Molecule Magnet Properties in the Lanthanide–Helicene Family
Journal of the American Chemical Society·2025· 1 citedOpen Access
Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K
2025· 1 citedOpen Access
Generating New Coordination Compounds via Multireference Simulations, Genetic Algorithms, and Machine Learning: The Case of Co(II) and Dy(III) Molecular Magnets
JACS Au·2025· 3 citedOpen Access
Author response for "The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullerene Single Molecule Magnets"
2025
Author response for "The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullerene Single Molecule Magnets"
2025
Author response for "The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullerene Single Molecule Magnets"
2025
Role of Electron Correlation beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation
Journal of Chemical Theory and Computation·2025· 3 citedOpen Access
The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules
Science Advances·2025· 16 citedOpen Access
Decoding Framework Dynamics in a Spin Crossover Flexible Metal–Organic Framework
Small·2025· 3 citedOpen Access
The mechanism of spin-phonon relaxation in endohedral metallofullerene single molecule magnets
Chemical Science·2025· 8 citedOpen Access
The Role of Electron Correlation Beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation
arXiv (Cornell University)·2024Open Access
Charting Regions of Cobalt’s Chemical Space with Maximally Large Magnetic Anisotropy: A Computational High-Throughput Study
Journal of the American Chemical Society·2024· 13 citedOpen Access
The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullene Single Molecule Magnets
arXiv (Cornell University)·2024Open Access
Charting new regions of Cobalt's chemical space with maximally large magnetic anisotropy: A computational high-throughput study
arXiv (Cornell University)·2024Open Access
The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules
arXiv (Cornell University)·2024Open Access
Spin-Vibronic Dynamics in Open-Shell Systems beyond the Spin Hamiltonian Formalism
Journal of Chemical Theory and Computation·2023· 10 citedOpen Access
Perspective from a Hubbard <i>U</i>-density corrected scheme towards a spin crossover-mediated change in gas affinity
The Journal of Chemical Physics·2023· 2 cited
Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes
Journal of Chemical Theory and Computation·2023· 14 citedOpen Access
Spin-vibronic dynamics in open-shell systems beyond the spin Hamiltonian formalism
arXiv (Cornell University)·2023Open Access
CCDC 2169223: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
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Frequent Co-authors

Roberta Poloni(25), Alessandro Lunghi(16), José Sánchez Costa(13), Bess Vlaisavljevich(8), Lucía Piñeiro‐López(8), J. Alberto Rodríguez‐Velamazán(8), Ángel Fernández‐Blanco(7), Ana Martínez‐Martínez(6), Esther Resines‐Urien(6), E. Carolina Sañudo(6), Jorge Albalad(5), Daniel Maspoch(5), Enrique Burzurı́(5), Tanu Sharma(5), Rupesh Kumar Tiwari(5), Sourav Dey(5), Gopalan Rajaraman(5), Arturo Gamonal(4), Estefanía Fernández‐Bartolomé(4), Javier Castells‐Gil(4)