Konwersatorium im. J.Pniewskiego i L.Infelda
sala 0.03, ul. Pasteura 5
2019-02-25 (16:30) 
Prof. Claudia Draxl (Humboldt University, Berlin)
From electronic-structure theory to data-driven science
Density-functional theory and methods beyond provide reliable tools to compute, analyze, and understand a large variety of materials and their properties. Making use of these methods in high-throughput studies has become a popular branch of our scientific ecosystem, on the search for advanced materials with tailored properties and novel functions. For successfully exploring the chemical compound space, new data-mining tools need to be developed for recognizing similarities and finding structure, trends and anomalies in the data. In this talk, I will address the question how to proceed from the third to the fourth paradigm of materials research.