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Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits

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Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits

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dc.contributor.author Rosaleny Peralvo, Lorena Estefanía
dc.contributor.author Gaita Ariño, Alejandro
dc.date.accessioned 2021-05-07T08:14:53Z
dc.date.available 2021-05-08T04:45:05Z
dc.date.issued 2015 es_ES
dc.identifier.citation Lorena E. Rosaleny, Alejandro Gaita-Ariño (2015). Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits. Inorg. Chem. Front., 2016,3, 61-66 es_ES
dc.identifier.uri https://hdl.handle.net/10550/79241
dc.description.abstract Lanthanoid complexes are amongst the most promising compounds both in single ion magnetism and as molecular spin qubits, but their organization remains an open problem. We propose to combine Lanthanide Binding Tags (LBTs) with recombinant proteins as a path for an extremely specific and spatially-resolved organisation of lanthanoid ions as spin qubits. We develop a new computational subroutine for the freely available code SIMPRE that allows an inexpensive estimate of quantum decoherence times and qubit–qubit interaction strengths. We use this subroutine to evaluate our proposal theoretically for 63 different systems. We evaluate their behavior as single ion magnets and estimate both decoherence caused by the nuclear spin bath and the interqubit interaction strength by dipolar coupling. We conclude that Dy3+ LBT complexes are expected to behave as SIMs, but Yb3+ derivatives should be better spin qubits. en_US
dc.description.abstract Lanthanoid complexes are amongst the most promising compounds both in single ion magnetism and as molecular spin qubits, but their organization remains an open problem. We propose to combine Lanthanide Binding Tags (LBTs) with recombinant proteins as a path for an extremely specific and spatially-resolved organisation of lanthanoid ions as spin qubits. We develop a new computational subroutine for the freely available code SIMPRE that allows an inexpensive estimate of quantum decoherence times and qubit–qubit interaction strengths. We use this subroutine to evaluate our proposal theoretically for 63 different systems. We evaluate their behavior as single ion magnets and estimate both decoherence caused by the nuclear spin bath and the interqubit interaction strength by dipolar coupling. We conclude that Dy3+ LBT complexes are expected to behave as SIMs, but Yb3+ derivatives should be better spin qubits. es_ES
dc.language.iso en es_ES
dc.title Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits es_ES
dc.type journal article es_ES
dc.subject.unesco UNESCO::QUÍMICA es_ES
dc.identifier.doi 10.1039/C5QI00127G es_ES
dc.identifier.idgrec 109579 es_ES
dc.accrualmethod - es_ES
dc.embargo.terms 0 days es_ES

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