Organic Materials

The growing field of organic electronics exploits organic components in multi-layer devices such as light-emitting diodes, solar cells, field-effect transistors, sensors and storage devices. Multiscale materials modelling techniques will be used to understand and optimize charge transfer through such materials in close cooperation with the EU project MINOTOR.

Molecular Electronics

Basic research on molecular electronics has led to significantly improved understanding of the function of nanoscale electronic devices. These fundamental insights have yet to be translated into functioning units in the context of existing microelectronics. Here multiscale simulations, which we undertake in pre-competitive research in cooperation with Sony Europe, will be used to optimize device properties for polymer-based microelectronics units for realistic applications.

Carbon Molecule Device

Increased energy efficiency and higher speed requirements boost the search for alternatives to the current silicon based technologies, such as carbon based nano-devices. Engineering the devices needs to be done also computationally in order to make design cycle faster and more efficient.

Li-ion Battery

Energy storage for stationary and mobile applications has emerged as a key research area for the competitiveness of the European industry and central to reaching key environmental goals of the member states of the European Union. Simulation based predictions have helped to increase device performance in basic research by more than an order of magnitude even in 2009, opening the way for many novel applications. In this part of the project we will develop a simulation platform to support European industry in reaching key R&D goals before their competitors in the US and Asia.

User communities

Communities of researchers from academia and industry, such as computational and applied nanomaterials science, have motivated MMM@HPC to perform actions to lower the existing barrier for these communities to HPC and e-infrastructures. Our partners coming from these communities will perform proof-of-principle studies demonstrating the efficiency of the developed infrastructure and added value for the industrial community.