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Kick-off meeting EMC2
Kick-off meeting EMC2 Molecular simulation is one of the most dynamic areas of scientific computing. Its field of application is very broad, ranging from theoretical chemistry and drug design to materials science and nanotechnology. Its importance in modern science has been acknowledged by two Nobel Prizes (Kohn & Pople in 1998; Karplus, Levitt & Warshel in 2013). It […]
Thomas Kühne (Paderborn University), Approximate computing in linear-scaling ab-initio molecular dynamics simulations.
Thomas Kühne (Paderborn University), Approximate computing in linear-scaling ab-initio molecular dynamics simulations. Contenu
Mathieu Lewin (Université Paris Dauphine), A mathematical proof of the LDA in DFT.
In this talk I will explain the first rigorous derivation of the LDA in DFT, for the Levy-Lieb functional in the limit where the density is very flat on large regions. Joint work with Elliott Lieb and Robert Seiringer.