With the constant downsizing of electronic devices, components reach a size down to the nanometer scale where quantum effects play a predominant role. A strong fundamental research effort as well as efficient modelling approaches are essential for further advances. In the search of approaches towards extreme miniaturization for shrinking electronic circuits, new fields have emerged. In the eighties, spintronics also known as spin-electronics arose from the observation of spin-dependent electron transport phenomena combining the transport properties of electrons and their spin at the origin of the magnetism. These new phenomena were rapidly exploited and integrated in components such as read heads of magnetic hard drives. Molecular electronics appeared at the same time as spintronics and is based on the integration of molecules in electronic components. COSMICS is a project in the field of molecular spintronics that combines spintronics and molecular electronics. Molecular spintronics emerged for several (sometimes-contradictory) reasons. Probably the most important feature is that molecules are much more versatile than solid-state solutions as they offer an almost infinite range of possibilities and their electronic, magnetic, and transport properties can be finely tuned. This profusion of molecule/substrate combination opens up new possibilities in terms of applications, most of them still unforeseen at the moment. However, in order to avoid getting lost in a myriad of options, a truly interdisciplinary approach as well as fundamental driving concepts are crucial to clear the way towards new practical solutions. In particular, an efficient modelling approach is needed to shorten the development process of materials-enabled products.
COSMICS has three main goals:
• Develop a fundamental understanding, guiding concepts and tools to scale up and systematize the search of new smart functional molecular designs
• Implement efficient, reliable and user-friendly modelling tools for the atomistic simulations of materials for technology development.
• Development of new spintronic devices or systems.
