Going digital to boost safe and sustainable materials innovation markets. The digital safe-and-sustainability-by-design innovation approach of the PINK project
Exner T.E., Dokler J., Friedrichs S., Seitz C., Bleken F.L., Friis J., Hagelien T.F., Mercuri F., Costa A.L., Furxhi I., Sarimveis H., Afantitis A., Marvuglia A., Larrea-Gallegos G.M., Serchi T., Serra A., Greco D., Nymark P., Himly M., Wiench K., Watzek N., Schillinger E.K., Gavillet J., Lynch I., Karwath A., Haywood A.L., Gkoutos G.V., Hischier R.
Computational and Structural Biotechnology Journal, vol. 29, pp. 110-124, 2025
In this innovation report, we present the vision of the PINK project to foster Safe-and-Sustainable-by-Design (SSbD) advanced materials and chemicals (AdMas&Chems) development by integrating state-of-the-art computational modelling, simulation tools and data resources. PINK proposes a novel approach for the use of the SSbD Framework, whose innovative approach is based on the application of a multi-objective optimisation procedure for the criteria of functionality, safety, sustainability and cost efficiency. At the core is the PINK open innovation platform, a distributed system that integrates all relevant modelling resources enriched with advanced data visualisation and an AI-driven decision support system. Data and modelling tools from the, in large parts, independently developed areas of functional design, safety assessment, life cycle assessment & costing are brought together based on a newly created Interoperability Framework. The PINK In Silico Hub, as the user Interface to the platform, finally guides the user through the complete AdMas&Chems development process from idea creation to market introduction. Guided by two Developmental Case Studies, the process of building of the PINK Platform is iterative, ensuring industry readiness to implement and apply it. Additionally, the Industrial Demonstrator programme will be introduced as part of the final project phase, which allows industry partners and especially small and medium enterprises (SMEs) to become part of the PINK consortium. Feedback from the Demonstrators as well as other stakeholder-engagement activities and collaborations will shape the platform's final look and feel and, even more important, activities to assure long-term technical sustainability.
doi:10.1016/j.csbj.2025.03.019