Conferences - Seminars

  Tuesday 20 February 2018 16:15 - 17:15 MXF 1

Machine-learning of density functionals for applications in molecules and materials

By Prof. Kieron Burke (University of California, Irvine)

This lecture is designed to be accessible to a wide variety of backgrounds.
In the first part, I will briefly review density functional theory and why it is important to many branches of modern physical science.  I will also review machine learning and its recent applications to molecules and materials.
In the second half,  I will show how, in collaboration with computer scientists at TU Berlin, we have used a specific type of machine-learning, called kernel ridge regression, to find more accurate and powerful approximate density functionals than any made by humans.  
For more background, see here.

14ème NCCR MARVEL "Distinguished Lecture"

Si vous désirez rencontrer le Prof. Burke, veuillez contacter Nathalie Jongen.

Organization NCCR MARVEL

Contact Nathalie Jongen

Accessibility Informed public

Admittance Free