Michael F. Herbst
By training a chemist, who got more and more twisted towards the "dark side" of numerical analysis. Now working as a PostDoc at CERMICS, the Applied Math lab of Ecole des Ponts, Paris, developing a Julia code for mathematical research in quantum chemistry (DFTK).
Sessions
07-29
19:00
30min
DFTK: A Julian approach for simulating electrons in solids
Michael F. Herbst
Density-functional theory (DFT) is a widespread method for simulating the quantum-chemical behaviour of electrons in matter. This talk presents our package DFTK, which aims to provide a joint platform accessible to different scientific communities.
Purple Track