Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J. A.: Magnetic exchange interactions and critical temperature of the nanolaminate Mn2GaC from first-principles supercell methods. Physical Review B 93 (5), 054432 (2016)
Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J. A.: Phase stability of the nanolaminates V2Ga2C and (Mo1-xVx)2Ga2C from first-principles calculations. Physical Chemistry Chemical Physics 18 (18), pp. 12682 - 12688 (2016)
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…