Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations

A Lunghi, S Sanvito - Nature Reviews Chemistry, 2022 - nature.com
Having served as a playground for fundamental studies on the physics of d and f electrons
for almost a century, magnetic molecules are now becoming increasingly important for …

Spin dynamics in single-molecule magnets and molecular qubits

D Aravena, E Ruiz - Dalton Transactions, 2020 - pubs.rsc.org
Over recent decades, much effort has been made to lengthen spin relaxation/decoherence
times of single-molecule magnets and molecular qubits by following different chemical …

Enhancing spin coherence in optically addressable molecular qubits through host-matrix control

SL Bayliss, P Deb, DW Laorenza, M Onizhuk, G Galli… - Physical Review X, 2022 - APS
Optically addressable spins are a promising platform for quantum information science due to
their combination of a long-lived qubit with a spin-optical interface for external qubit control …

[HTML][HTML] Magnetic molecules on surfaces: SMMs and beyond

G Gabarró-Riera, G Aromí, EC Sañudo - Coordination Chemistry Reviews, 2023 - Elsevier
In this critical review we cover the state of the art of surface deposition of complex magnetic
molecules. Deposition methods are reviewed, as well as the most used types of surfaces …

Tunable Cr4+ Molecular Color Centers

DW Laorenza, A Kairalapova, SL Bayliss… - Journal of the …, 2021 - ACS Publications
The inherent atomistic precision of synthetic chemistry enables bottom-up structural control
over quantum bits, or qubits, for quantum technologies. Tuning paramagnetic molecular …

Trigonal Bipyramidal V3+ Complex as an Optically Addressable Molecular Qubit Candidate

MS Fataftah, SL Bayliss, DW Laorenza… - Journal of the …, 2020 - ACS Publications
Synthetic chemistry enables a bottom-up approach to quantum information science, where
atoms can be deterministically positioned in a quantum bit or qubit. Two key requirements to …

On-surface magnetocaloric effect for a van der Waals Gd (III) 2D MOF grown on Si

S Kumar, GG Riera, A Arauzo, J Hrubý, S Hill… - Journal of Materials …, 2024 - pubs.rsc.org
Gd complexes have been studied as magnetic coolants due to their large magneto-caloric
effect. In this work we present a Gd 2D metal–organic framework (MOF) of formula [Gd …

Detrimental increase of spin-phonon coupling in molecular qubits on substrates

KR Mullin, RB Greer, MJ Waters… - … Applied Materials & …, 2024 - ACS Publications
Molecular qubits are a promising platform for quantum information systems. Although single
molecule and ensemble studies have assessed the performance of S= 1/2 molecules, it is …

A Heterometallic Porphyrin Dimer as a Potential Quantum Gate: Magneto‐Structural Correlations and Spin Coherence Properties

D Ranieri, A Privitera, F Santanni… - Angewandte Chemie …, 2023 - Wiley Online Library
In the development of two‐qubit quantum gates, precise control over the intramolecular spin‐
spin interaction between molecular spin units plays a pivotal role. A weak but measurable …

Nickel (II) metal complexes as optically addressable qubit candidates

MK Wojnar, DW Laorenza, RD Schaller… - Journal of the …, 2020 - ACS Publications
The inherent atomic level structural control of synthetic chemistry enables the creation of
qubits, the base units of a quantum information science system, designed for a target …