CICECO

University of Aveiro (UAVR) is one of the most dynamic and innovative universities in the country. In fact, UAVR has been considered one of the best universities of the Times Higher Education Young University Rankings for the world’s universities that are aged 50 years or under.CICECO – University of Aveiro Institute of Materials is the largest and best-rated nationally Materials Science and Engineering institute research centre. CICECO’s instrumental facilities are among the best in the country, including SEM, (S)TEM, AFM, X-ray diffraction, NMR, FTIR, Raman, measurement of optical, magnetic, electric, thermal, mechanical properties, computer cluster and clean room. Furthermore, it possesses its own technology transfer centre which assists in IP and project support.

Dr. Manuel Melle-Franco leads the Applied Computer Modelling Group, a young group which applies and develops atomistic computational techniques focused on unravelling experimental problems in chemistry, biochemistry, materials science and physics. The group has its own infrastructure with several workstations with 24-64 cores and 96-264 GB of RAM and several GPUs. In addition, the group owns licenses for several quantum chemistry and solid-state physics packages useful for the project, as well as running installations of a large number of open-source packages. In addition, this project will make use of a local cluster with 45 XEON nodes with 24-28 cores and >=126 GB of RAM per node adding up to 1060 cores.

Our role in the e-Prot project is linked to WP1 and WP2 leading computational tasks.