Job description

A call has opened for one postdoc position at the University of Trieste, Italy (https://web.units.it/node/51340/assegno/pub). The postdoc will benefit from strong interactions with leading Companies (Leonardo S.p.A. and FS Italiane) 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 Italy, starting from those 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 before Sept 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 through the PICA platform: https://pica.cineca.it/units/24ar376-1hpc/ 

Contact: 

for further info, contact Maria Peressi, peressi_at_units.it using as e-mail subject: “LEONARDO-UniTS post-doc application"

Deadline: April 26, 2024

Scientific environment 

The city of Trieste has the highest density of researchers per population in Europe (about 35-40 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.