Welcome!

The unit for Design And Modeling Of Integrated Nanomaterials (DAIMON) is a research team at the Institute for Nanostructured Materials (ISMN) of the National Research Council (CNR), Bologna, Italy.

Our research interests focus on the modeling of complex systems in chemistry, physics and materials science through the application of advanced computational techniques. These investigations are mainly targeted to the study of systems and materials for advanced organic and hybrid devices in nanoelectronics (organic light-emitting and light-harvesting devices), low-dimensional carbon and inorganic nanostructures (carbon nanotubes, graphene), functionalized surfaces and interfaces, nanostructured biomaterials, as well as basic phenomena (electronic structure, spectroscopy) in condensed matter. To this end we apply advanced computational methods ranging from atomistic simulations (electronic structure calculations, density functional theory, molecular dynamics and Car-Parrinello) to multiscale and device modeling techniques. The DAIMON team works in tight collaboration with the experimental groups at the ISMN Bologna and with industry leaders involved in the development of devices for organic electronics and photonics (OLEDs, OLETs, bio-organic devices), organic photovoltaics (OPV) and nanotechnology.

The final goal of our research is the study of complex systems and advanced devices in terms of structural, electronic and dynamical properties of their basic constituents (atoms, molecules, crystals, nanoaggregates, etc.). The detailed understanding of materials at the atomistic and molecular level and the extension toward the mesoscopic and macroscopic scale allows the rationalization and prediction of the properties of complex systems and the optimization and design of novel materials and devices with targeted properties.

The intrinsic complexity of the systems under investigation and the need for quantitative and accurate simulations require numerically intensive modeling techniques. Therefore, a basic ingredient of our research is the exploitation of advanced computing platforms through the development and implementation of efficient simulation strategies on high-performance computing infrastructures.

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