Job description

A call has opened https://web.units.it/sites/default/files/ccr/ricerca/bandi/DR%201231%20prot%20186593%20del%2018-12-2023%20bando%202%20ass%20UniTS%20HPC_0.pdf for one postdoc position at the University of Trieste, Italy. The postdocs will work under the supervision of Maria Peressi and Antimo Marrazzo and benefit from strong interactions with leading industries (e.g., Leonardo S.p.A.) and their R&D laboratories on the calculation of drag reduction in graphene through neural-network molecular dynamics simulations. The project involves collaborations with other research groups in the Trieste area, at SISSA and CNR-IOM Materials Foundry. 

The postdoc will study drag reduction in graphene with a combination of electronic structure
methods and large-scale atomistic molecular dynamics powered by machine learning and high-performance computing. The first part of the project involves the development of neural-network interatomic potentials for graphene on metallic substrates under air gasses, including the training on density-functional theory calculations. The second part involves large-scale MD simulations targeting the comprehensive understanding of the microscopic flow characteristics near graphene surfaces and the impact of surface microstructure on slip.

The position is sponsored by Innovation grants of the PNRR national center of HPC, Big data and Quantum Computing, nation-wide research projects in collaboration with other academic institutions (experimental and computational groups) and with private industries.

The contract is initially for one year (renewals are possible), starting date is flexible but tentatively before summer 2024.

Qualification

Candidates are sought with passion and commitment to the field and with strong motivation and commensurate academic record. The position requires robust and documented expertise in the use of electronic-structure simulation software for DFT simulations (e.g., Quantum ESPRESSO) and/or MD (e.g., LAMMPS). Previous experience with machine learning methods and proficient Python coding are considered a plus.

How to apply
Interested candidates can apply at https://web.units.it/en/node/50846/assegno/pub 

Deadline: January 4th, 2024

Scientific environment 

The city of Trieste has the highest density of researchers per population in Europe (37 every 1000 inhabitants). Trieste has a particularly strong tradition in electronic structure theory and simulations, which is fostered by the University of Trieste and other research institutions such as ICTP, SISSA and the Materials Foundry of the National Research Council (CNR-IOM). The close proximity of several research institutions facilitates scientific exchange and collaborative work not only among theorists but also with leading experimental groups at the local synchrotron (ELETTRA), free-electron laser (FERMI) and materials foundry (CNR-IOM) as well as at the University.

Trieste 

The city is medium size and beautifully located at the most northerly spot of the Adriatic Sea.  Local social life is lively, with cultural and natural attractions (theatres, sports, nightlife, the Karst highland, Venice, the Alps, and beautiful seaside resorts) a few strides to one hundred miles from the center of the city. Trieste is also an international sailing capital, hosting every year the world’s largest regatta and regularly producing top Olympic sailing athletes.