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Three post-doctoral positions in ab initio elect ... (No replies)
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Three postdoctoral positions are offered by the Milan Lab for Materials Simulation (MLMS) at the Physics Department of the University of Milan, Italy, with particular focus on:
(A) Theoretical development of hybrid organic/antiferromagnetic interfaces
(B) Ab initio calculation of charge density waves in quasi-one dimensional materials
(C) Ab initio study of surface-anchored homochiral molecular films
These positions are part of different collaborative projects funded by the EU and by the Italian Ministry (MUR), and are immediately available with an earliest starting date of December 2023 (with some flexibility to be agreed).
What we offer:
(A) 24 months, approx. 2200 euro/month net salary
(B) 12 months (renewable for further 12 months), approx. 2500 euro/month net salary
(C) 12 months, approx. 1750 euro/month net salary
Such salaries are 25%/>50% higher with respect to standard post-doctoral positions in Italy and allow a good living in the Milan area. Successful candidates will join a highly collaborative and expanding research environment, and have the opportunity to work in conjunction with theoretical and experimental project partners.
About the projects:
(A) Activity within the EU-FET project “SINFONIA”, aiming to develop hybrid interfaces between organic molecules and antiferromagnetic substrates which could offer the possibility of coupling an optical stimulus with a magnetic disturbance, and vice versa. The role of the UNIMI research unit is to carry out numerical simulations aimed at optimizing the choice of molecules and substrates, and on understanding structural, electronic, magnetic, and optical properties at the nanoscale.
Theoretical study from first principles of systems consisting of organic molecules adsorbed on magnetic substrates (typically antiferromagnetic), with techniques based on density functional theory are used for the determination of structural, electronic, magnetic and spectroscopic properties of such systems in collaboration with the experimental partners of the SINFONIA project for the interpretation of experimental results and support in the selection of systems of interest.
(B) Activity within the PRIN project “CRESO” founded by the MUR. The purpose of the theoretical research is to ascertain the mechanism driving the formation of charge density waves in ZrTe3. The charge ordering has been experimentally observed via time- and angle-resolved photoemission measurements and an theoretical support would be fundamental to clarify the observed peculiar temperature behavior of 1D and 3D states.
Ab initio calculations at DFT level are aimed to determine the structural properties of of ZrTe3 upon charge ordering, reproduce the band structure and Fermi surface of ZrTe3 under different conditions of strain and doping, determine the strength and role of electro-phonon coupling in the charge ordering process.
The theoretical activity will be performed in strict interaction with experimental partners of Politecnico di Milano.
(C) Activity within the MUR PRIN project “FUTURO”, to study a long-range homochiral film obtained by a new bottom-up growth technique. Film assembling relies only on chemical coordination between chiral molecules and a tetraphenyl porphyrins immobilized at an iron surface, which is passivated by a single layer of oxygen atoms. We want to study the anchoring mechanisms between the molecules and their electronic and spectroscopic properties. Theoretical study will be carried out for systems made up of organic molecules (porphyrins and chiral molecules) stabilized through interaction on oxygen-passivated iron surfaces, with techniques based on density functional theory. Focus will be put on the molecular superstructures that will be formed by combining different molecules and of the bond between them, and their structural, electronic and spectroscopic properties of such systems. Theoretical activity in collaboration with experimental partners of the FUTURO project.
Required qualifications:
Master or Ph.D. in Physics, Chemistry, Material Science or related discipline
Strong theoretical background in Solid State Physics
Experience in electronic structure calculations in density functional theory evidenced by peer-reviewed publications
Experience in using standard ab initio DFT codes (e.g. SIESTA and Quantum Espresso) in particular for the study of surfaces and interfaces
Strong capability for independent problem-solving and troubleshooting and self-motivation
Very good communication skills in English.
We consider a plus:
(A) Experience with bridging ab initio and model Heisenberg Hamiltonians; determination of optical spectra e.g. by the YAMBO code.
(B) Experience in the calculation of phonons and electron-phonon coupling
(C) Competence in the interpretation and/or simulation of spectroscopy techniques of valence and/or core electronic levels.
Location:
Milan is the capital of the Lombardy region and one of Italy's major cities, well known for several cultural and social possibilities, and is well connected with neighborhoods by efficient public transportation. The Physics Department is located in a pleasant area within the city.
How to Apply:
Interested candidates are encouraged to submit informal inquiries and expressions of interest, along with a CV and a motivation letter and contact information of at least two scientists from whom a recommendation can be requested or furnished to: Simona Achilli [email protected] and Guido Fratesi [email protected] specifying to which position/positions they are interested. We will arrange for informal contacts before the official selection takes place.
Formal application is already open as detailed on the UNIMI website at the following links (search for “english version” within the page):
(A) closing 10/11/2023, interviews on 20/11/2023 https://www.unimi.it/it/ricerca/ricerca-lastatale/fare-ricerca-da-noi/assegni-e-borse/bandi-assegni-di-ricerca/bando-di-tipo-b-prof-fratesi-id-5949
(B) closing 10/11/2023
https://www.unimi.it/it/ricerca/ricerca-lastatale/fare-ricerca-da-noi/assegni-e-borse/bandi-assegni-di-ricerca/bando-di-tipo-b-dottssa-achilli-id-5953
(C) closing 14/11/2023, interviews on 22/11/2023 https://www.unimi.it/it/ricerca/ricerca-lastatale/fare-ricerca-da-noi/assegni-e-borse/bandi-assegni-di-ricerca/bando-di-tipo-b-prof-fratesi-id-5951