The Milan Lab for Materials Simulation (MLMS) at the University of Milan, Italy, is seeking motivated and highly qualified candidates to join the research activity for the design and theoretical characterization of molecule-substrate interfaces with particular focus on: 

• self-assembled molecular superlattices on graphene aimed at the engineering of  electronic and magnetotransport properties of graphene through the molecule functionalization.

• self-assembled monolayers of N-heterocyclic molecules on crystal surfaces aiming to the optimization of thermal stability and use as a molecular platform on the surface.

Both the research activities are performed and developed in tight contact with experimental groups. This research is performed within the EU facility NFFA.

Main tasks:

• Calculation of ground state structural and electronic properties of the systems mentioned above via ab initio DFT calculations or exploiting tight binding models

• Implementation of a correction term in the Hamiltonian for the inclusion of an external magnetic field 

• Calculation of the longitudinal electrical conductivity in different transport regimes and in presence of an external magnetic field

• Calculation of electronic excitations, in particular core-level photoemission / X-ray absorption for organic adsorbates.

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)

• Experience in electronic transport calculations in different regimes  (Kubo-Greenwood formalism, Landauer-Buttiker formalism, Boltzmann transport equation)

• Software development skills in Python and experience with SISL code is considered a plus.

• Very good communication skills in English.

The two-year position will start in Autumn 2023 with a monthly gross salary around 2200 euros. 

Interested candidates can contact Simona Achilli [email protected], Guido Fratesi [email protected] or Giovanni Onida [email protected] for a pre-selection sending the following documents:

• PhD diploma in Physics or related

• Letter of motivation with a brief description of scientific interests and plan

• CV with a list of published scientific works indicating the candidate's strengths and experience

• Contact information of at least two scientists from whom a recommendation can be requested

The official call will be opened soon (presumably by the end of July)