SFB TACO

SFB TACO - TACO for short - is a Spezialforschungsbereich ("special research program") granted by the Austrian Science Fund FWF. The project's full name is "TAming COmplexity in Materials Modeling, TACO" (project nr. F 81-N). It consists of nine scientific sub-projects and one additional coordination sub-project run by researchers from two different universities: TU Wien and University of Vienna. TACO was initially funded for four years starting in March 2021, with an option for a one-time extension for another four years... As part of subproject P03 of SFB TACO, I will focus on the application of the recently developed on-the-fly machine-learning force field (MLFF) method to complex realistic problems such as solid-state phase transitions and molecular adsorption on surfaces. Specifically, I will be devoted to the development and application of the delta machine-learning approach. The goal of this approach is to develop a MLFF that approaches the accuracy of high-level quantum..

Primary location: Wien United States