CASUS Institute Seminar, Dresden-concept Research Group leader Dr. Rico Friedrich, Theoretical Chemistry, Technische Universität Dresden & Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (HZDR, both Germany), Center for Extreme Materials, Duke University (United States of America, USA)

Abstract of the talk// The design of novel materials for various scientific and technological purposes such as in electronics and the energy sector has in recent years benefited from the introduction of data-driven design strategies. In this talk, the power of this approach is leveraged for two exemplary materials classes. The recent surprising experimental realization of non-van der Waals 2D compounds obtained from non-layered crystals [1] foreshadows a new direction in 2D systems research. Rico will present several dozens of candidates of this novel materials class derived from applying data-driven research methodologies in conjunction with autonomous ab initio calculations [2,3,4]. The candidates exhibit a wide range of appealing electronic, optical, and magnetic properties making them an attractive platform for fundamental and applied nanoscience.

Also high-entropy materials have recently attracted significant interest due to their favorable properties within mechanically and thermally demanding environments. For their actual design, predictive synthesizability descriptors such as the disordered enthalpy-entropy descriptor (DEED) [5] are crucial prerequisites. Rico will provide an extensive validation of the predictive power of this approach and its prospective combination with enthalpy corrections for ionic materials [6] for the efficient computational design of high-entropy compounds for extreme conditions.

CV// Dr. Rico Friedrich studied Applied Natural Science at TU Bergakademie Freiberg from 2007 to 2013 with a special focus on theoretical chemistry and theoretical solid state physics. In 2016, he completed his PhD with Prof. Dr. Stefan Blügel on the molecular based design of surface magnetic properties for spintronics at Forschungszentrum Jülich and RWTH Aachen. From 2017 to 2021 he was a postdoctoral fellow supported by a Feodor Lynen research fellowship of the Alexander von Humboldt Foundation with Prof. Dr. Stefano Curtarolo at Duke University, USA. There he developed a new method for the efficient data-driven prediction of the thermodynamic stability of materials. In 2020, he joined the Institute of Ion Beam Physics and Materials Research at HZDR as Humboldt fellow and postdoctoral researcher working on the data-driven design of novel 2D materials. Since 2022 he is group leader of the Dresden-concept junior research group “Autonomous Materials Thermodynamics – AutoMaT” jointly supported by the chair of theoretical chemistry of TU Dresden and the HZDR. He also is Adjunct Professor at the Center for Extreme Materials at Duke University in Durham, North Carolina (USA).

Rico will be talking live in Görlitz. However, as the event is organized in a hybrid format that includes a videoconferencing tool by Zoom Inc., people interested in the topic have the chance to also join the talk remotely. Please ask for the login details via