most citedPredicting tensorial molecular properties with equivariant machine-learning models

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physics.chem-ph2024

Charting new regions of Cobalt's chemical space with maximally large magnetic anisotropy: A computational high-throughput study

Lorenzo A. Mariano, Vu Ha Anh Nguyen, Valerio Briganti +1

Magnetic anisotropy slows down magnetic relaxation and plays a prominent role in the design of permanent magnets. Coordination compounds of Co(II) in particular exhibit large magne…

physics.chem-ph2024

The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules

Lorenzo A. Mariano, Vu Ha Anh Nguyen, Jonatan B. Petersen +5

Magnetic resonance is a prime method for the study of chemical and biological structures and their dynamical processes. The interpretation of these experiments relies on considerin…