TACO: Taming Complexity in Materials Modeling
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Welcome to the homepage of the special research programme TACO Scientists of TU Wien and the University of Vienna collaborate intensely on improving materials modeling. For more information about the various sub-projects (P01–P12), click on the logos below. Go to Latest News Latest News Upcoming Talks Subscribe to our seminar mailing list to receive information […]
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About TACO: Taming Complexity in Materials Modeling
TACO (TAming COmplexity in Materials Modeling) is an innovative brand dedicated to unraveling the complexities of multi-cation oxides. With a team of experimental and theoretical physicists, chemists, and chemical engineers from TU Wien and the University of Vienna, TACO combines cutting-edge research with practical applications. The brand focuses on the study of multicomponent materials and their surfaces and interfaces, which play a crucial role in chemical conversion and energy storage.
By tightly integrating experiment and theory, TACO aims to develop a microscopic understanding of these materials and their behavior in various environments, including ultra-high vacuum, gas pressure, and aqueous solutions. Through the use of machine learning and advanced computational modeling, TACO accelerates first-principles calculations, predicts observables from structures, and determines simple descriptors for complex experimental properties. Ultimately, TACO seeks to optimize materials for technical applications in photo-, electro-, and heterogeneous catalysis, paving the way for groundbreaking advancements in the field
