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Modelling nanotoxicity of engineered nanomaterials by molecular dynamics simulations (Leiden)
Thesis in external company 
Thesis abroad
keywords ENGINEERED NANO-MATERIALS, MOLECULAR DYNAMICS, NANOTOXICITY, RISK ASSESSMENT
Reference persons PIETRO ASINARI, MATTEO FASANO
External reference persons Dr. Agur Sevink (https://www.universiteitleiden.nl/en/staffmembers/agur-sevink#tab-1)
Research Groups Multi-Scale Modeling Laboratory – SMaLL (www.polito.it/small)
Thesis type MODELING AND DATA ANALYSIS
Description This thesis proposal is parte of the European project H2020 called NanoInformaTIX. NanoInformaTIX aims to create a comprehensive, sustainable, multi-scale modelling framework for exposure and (eco)-toxicity of Engineered Nanomaterials (ENM) to facilitate cost-effective risk assessment, less reliant on animal testing, and to support the design of safer materials and products. In particular, this thesis will focus on Molecular Dynamics (MD) simulations and hybrid coarse-grained MD (CGMD) - self consistent field (SCF) techniques that include hydrodynamic and bridge between the mesoscopic and emergent scales in biological systems. The latter technique has been developed by Dr. Agur Sevink and hence, interacting with him, the student will have the opportunity to learn this approach. The ultimate goal is to investigate by these simulations the interaction between engineered nanomaterials and living structures (e.g. cell membrane). The screening of different materials will be considered.
See also http://www.nanoinformatix.eu/
Required skills La competenza in programmazione (ad esempio Matlab, Python) ed in termodinamica è desiderabile. Si prevede che il candidato abbia un atteggiamento / curiosità significativa nei confronti della modellizzazione, in particolare in relazione ai fenomeni di trasporto su scala nanometrica. Ci aspettiamo una forte volontà e attitudine a collaborare e interagire con esperti sulle simulazioni atomistiche. La lingua di comunicazione preferenziale sarà l'inglese.
Notes The period abroad will last from 3 to 6 months at Leiden University in The Netherlands. A preliminary training of 3 months at Politecnico di Torino will be done, to become confident with the computational tools required for the thesis activities. Be aware that the costs of living are quite substantial in Leiden, especially housing could easily cost up to 700 euro per month.
Deadline 28/02/2020
PROPONI LA TUA CANDIDATURA