Our research is focused on the application of advanced simulation techniques to the study of materials, processes and devices for organic and hybrid electronics and optoelectronics. The modeling research unit works in tight collaboration with the experimental groups, led by Dr. Michele Muccini, at the ISMN Bologna and with industry leaders involved in the development of devices for organic photonics (OLEDs, OLETs, bio-organic devices) and organic photovoltaics (OPV).
Possible research topics include:
- Molecular dynamics simulations of materials (small molecules, polymers, etc.) for nanostructured electronic devices: aggregation at the nanoscale, formation of interfaces and defects, etc.
- First-principles investigations on the electronic and spectroscopic properties of small molecules, aggregates and interfaces
- Modeling of electronic transport, charge injection and charge mobility in complex systems (first-principle simulations and Monte-Carlo simulations)
- Device modeling (finite elements techniques, drift-diffusion models)
- Development of novel paradigms for the modeling of complex systems in organic electronic devices and multi-scale approaches
Enquiries are encouraged from applicants with a strong background in scientific computing and numerical simulation techniques in materials science (ab-initio, density functional theory, molecular dynamics, device simulation and modeling packages such as Gaussian, Siesta, Gromacs), familiarity with the Unix/Linux environment and experience in programming (Fortran, C/C++, Java, Python). Experience with high-performance computing facilities and parallel programming is preferred.
Enquiries should be addressed to:
Francesco Mercuri
CNR ISMN Bologna, Italy
email: francesco.mercuri@cnr.it
web: http://fmercuri.altervista.org
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