Accelerated Discovery of New Materials

787. WE-Heraeus-Seminar

15 May - 18 May 2023


Physikzentrum Bad Honnef

Scientific organizers:

Prof. Dr. Christof Wöll, KIT Karlsruhe • Prof. Dr. Martin Aeschlimann, U Kaiserslautern • Prof. Dr. Roser Valentí, U Frankfurt

The development of new materials is critical for all industrialized societies, as it touches upon virtually all technology relevant application fields including energy, efficient use of resources and devices for information technologies.

One of the major challenges in this field is the sheer number of conceivable materials, which is far more than can ever be experimentally realized and characterized. Digitalization strategies for materials research, which blend advanced computational approaches with sophisticated experimental techniques, offer a way forward. Traditional trial and error research needs to be replaced by computer-based simulations carried out in parallel with novel experimental processes.

In this seminar, we will put a main - but not exclusive - focus on two novel classes of materials: „high entropy alloys” (HEA) and „metal organic frameworks“ (MOFs). HEAs are alloys with roughly equal proportions of five or more elements, yielding e.g. mechanical properties that are often substantially different from conventional alloys. HEA oxides display interesting properties in catalysis and energy storage. MOFs are porous, crystalline compounds where organic linkers connect metal nodes. Originally developed for gas storage and separation, recently MOFs have found widespread applications in optoelectronics and sensorics. We will also not exclude other materials - in particular perovskites and battery materials.

The program will include a series of lectures by leading researchers from experiment, theory, and computer science. Students and early career researchers are encouraged to participate with posters and flash presentations. To facilitate trans- and interdisciplinary exchange we will hold open discussion sessions on a variety of topics.

The conference language will be English. The Wilhelm and Else Heraeus-Foundation bears the cost of full-board accommodation for all participants.