Periodic Reporting for period 4 - DECRESIM (A Chemical Approach to Molecular Spin Qubits: Decoherence and Organisation of Rare Earth Single Ion Magnets)
Okres sprawozdawczy: 2020-02-01 do 2021-01-31
Overall, our work has been rather productive, with Web of Knowledge reporting 36 papers during the duration of the action, including several high-impact journals (first decile) such as Nature (1), Nature Chemistry (1) Chemical Science (4), Jounal of the American Chemical Society (1), Nanoscale (1) and Journal of Chemical Physics Letters (3), overall attracting over 800 citations so far.
Note that some important results of DECRESIM have not been published yet, and will significantly alter the count of high-tier papers, since the impact of our research has been increasing during these 5 years. In particular, at the end of the project we have 4 articles under peer review: one on “Quantum coherent spin-electric control in molecular nanomagnets”, another on “Spectroscopic analysis of vibronic relaxation pathways in molecular spin qubit [Ho(W5O18)2]9-”, one on “Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-based Metallofullerene Spin Qubits” and one on “Near isotropic D4d spin qubits as nodes of a Gd(III)-based Metal-Organic Framework”. We are also about to submit a work on “Data mining, dashboard and statistical analysis: a powerful framework for the chemical design of molecular nanomagnets”.
In a few words, during this project we have found systems, conditions and recipes to achieve improved quantum coherence and molecular spin qubit organisation. Likewise, our theoretical framework is now more sophisticated and our computational capabilities are more powerful. Neighbouring fields, in particular Single Ion Magnets and Spintronics, have benefitted from our work.
Our studies of magnetic biomolecules, which was planned in the project as an exploration effort, gave unexpected fruits, and we and our collaborators are now considering paramagnetic metallopeptides not just as interesting hardware for qubit organisation, but also for spintronics. The Chirality Induced Spin Selectivity effect might even be eventually used as a mechanism to initialize qubits at room temperature.
In the last stages of the project, we employed the modern tool of Data Science including modern dashboard-style visualization to gain insights into chemical design of molecules with the desired spin dynamics:
https://rosaleny.shinyapps.io/simdavis_dashboard/
While this is part of an existing trend, we expect our contribution to help propagate it among some of our colleagues that had perhaps not yet thought about how it could be applied to their own fields.