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Project

A high-performance computing infrastructure for data-driven research on sustainable energy materials

Kristian Sommer Thygesen – Professor, Department of Physics, Danmarks Tekniske Universitet
Grant amount: DKK 11,000,000

This proposal aims to build a high-performance computing infrastructure for supporting the discovery of new materials for sustainable energy production, storage, and use. The core group at DTU are world-leading experts in this field but the system will be open also to other researchers. This type of computational science is mainly based on simulations (electronic structure calculations) and the planned infrastructure will therefore be tailored to this use (CPU based). The simulations to be conducted on the infrastructure will mainly target materials for applications in the areas of (electro)catalysis relevant for the sustainable production of fuels and chemicals, new types of batteries, solar cell materials, and biomolecules.  

Project participants
Kristian Sommer Thygesen
Professor, Department of Physics, Danmarks Tekniske Universitet

Thomas Bligaard
Professor, DTU Energy

Sonia Coriani
Professor, Physical Chemistry, Danmarks Tekniske Universitet

Jan Halborg Jensen
Professor, Department of Chemistry, Københavns Universitet

Jan Rossmeisl
Professor, Department of Chemistry, Københavns Universitet

Tejs Vegge
Professor and Head of Section, DTU Energy