
Project A2 aims for a universally applicable AI-based solution, which ultimately enables the synthesis of a copolymer with defined molecular parameters, such as molar mass or distribution of the repeating units in the polymer chain. To achieve such a solution, experimental and theoretical approaches will be combined and eventually merged. Experimentally, high-throughput experimentation (HTE) using automated robots will be applied to generate a large amount of comparable and usable data. Theoretically, quantum chemical approaches are employed in combination with molecular dynamics simulations to determine molecular and structural properties, as well as polymerization thermodynamics and kinetics.
Prof. Dr. Ulrich S. Schubert
Image: Anne Günther (University of Jena)Principal Investigators
Prof. Dr. Ulrich S. Schubert
Institute for Organic and Macromolecular Chemistry (IOMC)
Friedrich Schiller University Jena
Humboldtstraße 10
07743 Jena
Phone: +49 3641 9-48200
ulrich.schubert@uni-jena.de
Prof. Dr. Stefanie Gräfe
Image: Jens Meyer (University of Jena)Prof. Dr. Stefanie Gräfe
Institute of Physical Chemistry (IPC)
Friedrich Schiller University Jena
Lessingstraße 4
07743 Jena
Phone: +49 3641 9-48330
s.graefe@uni-jena.de