ILIAS of the Philipps-Universität Marburg
AutorInnen: Dr. Nils Bohmer
Abstract

Catalysis and chemical engineering have a massive socio-economic impact related to climate change and the environment as well as to the development of sustainable industrial production.
The overall strategy for the transformation of catalysis research across all relevant disciplines in catalysis and chemical engineering is structured as a stepwise approach as outlined in the Whitepaper: “The Digitalization of Catalysis-Related Sciences” published by GeCatS – German Catalysis Society in March 2019 (Accessed Dec. 2020). It follows the path of transforming catalysis related sciences into a branch of digital sciences. In order to turn this strategy into a tangible plan and align it with the targets of the NFDI, a structure of task areas and measures will be pursued in working groups covering technical, organizational and educational aspects. The approach of NFDI4Cat targets at an early stage validation of the core functionalities developed by the construction of a pilot allowing assembly and integrated view of data libraries of both experimental and calculated data from theoretical assessment.
A roadmap towards institutionalization of these elements is also required for assuring continuous existence beyond the communicated framework of funding of the NFDI. The whole process will be user-driven and follow the principles of stakeholder participation. In conjunction with this initiative it is also vital to work on models for an implementation plan in the national academic education system, so that future generations of scientists working in the field of catalysis will be able to further develop the field of digital catalysis science. It is anticipated that ultimately the information architecture will become an indispensable tool of a digitalized community in catalysis on a national and international basis.