High Performance Center »Functional Integration in Micro- and Nanoelectronics«Atomistic simulation of surface processes is crucial for understanding and optimizing many thin-film growth processes. Despite extensive expertise in modeling such surface processes, the investigation of novel material systems remains highly cost-intensive, often creating a substantial entry barrier for industrial partners, especially SMEs.
In the ESOWoK project, AI agents and automated workflows will elevate existing modeling approaches to a new level of capability, significantly reducing development costs. Density functional theory (DFT) will be employed to provide an accurate description of interatomic interactions. The process focuses on the adsorption of gas-phase molecules on surfaces and the diffusion of surface atoms.
ESOWoK is led by Fraunhofer ENAS, which contributes its expertise in atomistic surface processes and workflow development. The activities are supported by the Smart Systems Integration professorship at Chemnitz University of Technology, contributing expertise in user interfaces and suitable AI models. The SME ELEMENT 3-5 participates as an associated partner, bringing an industrial perspective to the project.
