KTHKungliga Tekniska Högskolan 

Kungliga Tekniska Högskolan (Royal Institute of Technology), “KTH” in Stockholm, Sweden is a technical university with first class education and research. It provides one-third of Sweden’s capacity for engineering studies and technical research at post-secondary level. KTH educates architects and engineers at Bachelor’s and Master’s level as well as doctors and licentiates. KTH comprises one faculty of engineering including some 40 departments and a college of applied engineering. The groups in Physical Metallurgy (J. Ågren), Computational Thermodynamics (M. Selleby) and Materials Technoloy (P. Korzhavy) of the department of Materials Science and Engineering - the Royal Institute of Technology (KTH) work closely together and includes 4 professors, 6 senior scientists and 12 PhD students at present. The research is directed towards the, structure of solid materials and how it changes during synthesis, processing and usage of the materials. Important issues concern; phase stability and multicomponent phase equilibria, dynamics of phase transformations and microstructural evolution as well as the detailed mechanisms of phase transformations. The groups are the major actors in the Centre of Hierarchic Engineering of Industrial Materials (HERO-M) which is directed towards ICME.

KTH will be engaged in the part that relates to deriving standards that facilitate the incorporation and use of data that has been calculated by a first principles method, e.g. density functional theory (DFT), but also data from other sources, e.g. data generated by high-throughput experiments, i.e. integration of first principles or ab-initio calculations results into a CALPHAD framework. Such expertise exists to a very large degree within KTH. The role of KTH in ICMEG will be to inventory available first principles codes, ab-initio and other small scale models. Further these small scale models shall be harmonized amongst each other and be bridged with CALPHAD type databases, as well as - when relevant - directly with larger-scale application software. Further, gaps and missing functionalities in the model chain at the small scales will be identified and a respective roadmap for their development will be proposed.