Research fields/Keywords:Theoretical Physical Chemistry, Organic Materials Modeling, Multiscale Molecular Modeling
We are curious to understand the behaviour of organic materials on the basis of their chemical structure and its effects on large length and timescales. For this reason, we develop and apply simulation methods and theory to study organic, polymeric, nano-materials and more in general soft matter.
Some example of our current projects:
Molecular models able to predict the assembly of nanoparticles in different environments (bulk materials, water, at interfaces) as function of their shape, surface chemistry. Behaviour of macromolecules at nanoparticle surface.
Shape and size of self-assembled structures of surfactants, interaction of surfactants with biomolecules, biomembranes solubilisation processes.
Structuring of organic molecules at interfaces, evaporation processes, materials for organic electronics
We develop a Molecular Dynamics code OCCAM able to efficiently exploit massive parallel hardware
We search for highly motivated students eager to learn theory and simulation techniques enjoying our international environment. Possible project subjects range from organic materials useful for electronic application to interfaces between synthetic materials and biomolecules and soft matter oriented problems in general.