(http://www.nanoinformatix.eu/).

SCADENZA: 2019

Applications are welcome for one postdoc position at the Department of Energy (DENERG) of Politecnico di Torino (Turin, Italy - www.polito.it) on modeling and molecular simulation of interfaces for a better understanding of (eco)-toxicity and its implications for energy applications.

Requested activities:

- performing atomistic simulations of solid/solid and solid/liquid interfaces, including surface chemistry and the interactions with organic matter;
- estimating the potential of mean force (PMF) between two surfaces for investigating adhesion and, in particular, adhesion limits, between nanoparticles and organic matter;
- performing coarse-grained molecular dynamics (CGMD) simulations by validated coarse-grained force fields;
- identifying the overall modelling and simulation architecture, including HPC requirements, MODA datasheets and EU Open Simulation Platforms;
- taking care of all duties expected by the work plan of the NanoInformaTIX project (e.g. interactions with partners, reports, progress meetings, deliverables, etc).

Requested skills: Expertise in heat and mass transfer and applied thermodynamics is mandatory. Proficiency in high-level programming language (e.g. Matlab, Python). Previous experience with molecular dynamics (MD) technique and software is required, and a proved experience with LAMMPS (or GROMACS) will be a plus. Previous experience about computing radial distribution functions (RDFs) and potential of mean forces (PMFs) is required, in order to properly parametrize models for coarse-grained molecular dynamics (GCMD). Good understanding of condensed matter physics and previous experience with high-performing computing (HPC) is highly desirable. Preferential communication language will be English.

Maggiori dettagli nell'allegato.

Riferimento: Prof. Pietro Asinari  pietro.asinari@polito.it