The workshop focused on the importance of material simulations in several key areas, as the emerging applications of graphene, improving high-k oxides and metal gates for future transistors, impurity engineering in semiconductors, thermoelectric materials, fuel cells, catalysts and photonic materials. From biology the impact of implantable medical devices, the activity of the visual cortex, and the dynamics of membrane proteins were the subject of lively discussions.
The “bridge” between theory and experiment and nanotechnology and biology was the central theme of the workshop, which focused on the treatment of multiple spatial and time scales discussing the computational methods which are best suited for the diverse research areas as electronic materials and protein folding.
Academic and industrial researchers from physics, chemistry, biology and engineering disciplines were discussing the emerging impact of the synergy between experimental and computational advances in several nanoscience areas, including the interface with bio-molecules.
Experimental researchers interested in learning about how to interpret, analyze and design new experiments based on simulations, and theorists interested in expanding their modeling efforts into new application areas were welcomed to attend.
Which theoretical methodology is best suited for a specific application?
What are the most recent state-of-the-art theoretical advances to tackle real problems at several timescales, and what challenges have to be addressed to make the theoretical and experimental advances more intrinsically linked?