Application Of Computational Methods For The Study Of The Correlations Between The Structure An[...] Re

Application Of Computational Methods For The Study Of The Correlations Between The Structure An[...]
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Organisation/Company: Università degli Studi di FirenzeResearch Field: Chemistry » OtherResearcher Profile: Recognised Researcher (R2), Leading Researcher (R4), First Stage Researcher (R1), Established Researcher (R3)Country: ItalyApplication Deadline: 10 Feb 2025 - 13:00 (UTC)Type of Contract: To be definedJob Status: Not ApplicableIs the job funded through the EU Research Framework Programme?

Not funded by a EU programmeIs the Job related to staff position within a Research Infrastructure?

NoOffer DescriptionThe project involves the study of a selection of already synthesized and non-synthesized magnetic nanographenes through quantum-mechanical methods.

The aim is to rationalize the magnetic behavior and the spin-electric coupling of the molecules as a function of their molecular structure, in such a way that it can help and guide new synthetic strategies for developing new magnetically more performing systems.

The study of the most promising molecular systems assembled on different types of surfaces is also foreseen. The research fellow must therefore be able to design in the best possible way, and consistently with the need for accuracy of the results, different types of in silico experiments that provide access to the energies of the excited states for systems containing one or more paramagnetic centers in the presence or absence of the surface. The fellowship will be paid from the funds of the 'iPAWNS' project financed under the 2022-2023 Call (FIS2).

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