4 papers
Dominant spin-spin relaxation mechanism at clock transition of the complex at different concentrations
Xiao Chen, Haechan Park, Silas Hoffman +2
Spin decoherence poses a significant challenge in molecular magnets, with the nuclear spin bath serving as a prominent source. Intriguingly, spin qubits at the clock transition exh…
Accurate crystal field Hamiltonians of single-ion magnets at mean-field cost
Linqing Peng, Shuanglong Liu, Xing Zhang +4
The effective crystal field Hamiltonian provides the key description of the electronic properties of single-ion magnets, but obtaining its parameters from ab initio computation is…
Floquet Engineering Clock Transitions in Magnetic Molecules
Andrew Cupo, Shuanglong Liu, Silas Hoffman +2
We theoretically study Floquet engineering of magnetic molecules via a time-periodic magnetic field that couples to the emergent total electronic spin of the metal center. By focus…
Discovery of Spin-Crossover Candidates with Equivariant Graph Neural Networks and Relevance-Based Classification
Angel Albavera-Mata, Pawan Prakash, Jason B. Gibson +7
Swift discovery of spin-crossover materials for their potential application in quantum information devices requires techniques which enable efficient identification of suitably bis…