227 citations · 456 across the 33 of their papers we have counts for
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Multireference Density Matrix Embedding for Spin-Phonon Relaxation
Shreya Verma, Antonio L. Mariano, Matthew R. Hermes +3
Spin-phonon coupling governs magnetic relaxation in numerous systems including single-molecule magnets and molecular spin qubits. In most cases, the accurate prediction of spin rel…
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…
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…
Spin-vibronic dynamics in open-shell systems beyond the spin Hamiltonian formalism
Lorenzo A. Mariano, Sourav Mondal, Alessandro Lunghi
Vibronic coupling has a dramatic influence over a large number of molecular processes, ranging from photo-chemistry, to spin relaxation and electronic transport. The simulation of…