Freysoldt, C.; Hickel, T.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
Hickel, T.; Freysoldt, C.; Janßen, J.; Wang, N.; Zendegani, A.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
Freysoldt, C.: Modelling of charged point defects with density-functional theory. 4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices, National Institute for Fusion Science (NIFS), Toki, Japan (2019)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
The computational materials design department in collaboration with the Technical University Darmstadt and the Ruhr University Bochum developed a workflow to calculate phase diagrams from ab-initio. This achievement is based on the expertise in the ab-initio thermodynamics in combination with the recent advancements in machine-learned interatomic…