Workshop
"Can Ice Be Describes from First Principles?" #2 workshop
This was the second workshop for the Young CAS Fellow Sigbjørn Løland Bore and his project "Can Ice Be Described from First Principles?"
Day 1
09:00-17:00
Visit by Boris Kozinsky from Harvard University
Overview presentation of the Young CAS Project for the working group
Discussion of course and opportunities
Presentation by Boris Kozinsky for the Hylleraas Centre on artificial intelligence applied to quantum calculations and machine learning potentials
Day 2-5
09:00-17:00
Work in three directions:
- Development of an algorithm for geometry generation for ice, Henrique Musli Cezar and Sigbjørn Løland Bore
- Fine-tuning of machine learning potentials, Anders Johansson
Quantum calculations with ORCA
Day 5
14:15
Lecture by Anders Johansson on machine learning potentials on supercomputers for the Hylleraas Centre