CSIC

Institution

CSIC is a Linked Third Party to ICN2 in the MaX project. It participates through ICMAB (the Institute for Materials Sciences of Barcelona), which is one of the flagship institutes of the Spanish Research Council. It was awarded the “Severo Ochoa” excellence distinction in 2016 in recognition of its world-class research profile in key areas of materials science. The researchers participating in MaX are members of the Laboratory of Electronic Structure of Materials, a theory group at ICMAB with a strong profile in the development of ab-initio simulation methods and their application to the understanding of fundamental properties of materials.

Research expertise

The group is one of the most active contributors to the development of the SIESTA code, including its overall architecture and code-development coordination issues, and participates in international initiatives on scientific software development,  data management and computational frameworks. The group has applied its skills to a wide variety of problems, from solid-state chemistry to the bonding of molecules on surfaces, frequently in collaboration with experimentalists.

Tasks in MaX

The group contributes to MaX its software development expertise, mainly focused on the SIESTA suite (further enhancement, optimization, and integration in the AiiDA framework), but extending to general issues of code organization, interfaces, and interoperability.