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Thursday, 07. Mar. 2013 |
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15:15 – 16:10 |
Abstract : In this presentation I will give
an overview of how modern theoretical tools can be used to guide the
identification of materials with desired functionality. The generation of large
data-bases of electronic structure information will be presented, and
data-mining algorithms will be discussed in connection to the search for new
materials. In addition, correlated electronic structures will be discussed, in
several classes of materials, as given by electronic structure theory in
combination with dynamical mean field theory.