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Let the computer design the materials of the future atom by atom

PhD defence, Wednesday 5th of May 2021. Henrik Lund Mortensen.

2021.05.05 | Karen Konradi

Henrik Lund Mortensen

New materials often drive technological development. Our understanding of quantum mechanics together with the enormous power of today’s computers allows for design and investigation of new, interesting materials by computer simulations. During his Ph. D. Henrik Lund Mortensen has contributed to the development of a novel algorithm, which lets the computer learn to construct materials and molecules, atom by atom. The algorithm uses machine learning techniques originally designed to master board games, and has evolved from “discovering” small, simple molecules to solving complex, relevant problems, for example by finding the atomic structure of a silver oxide surface

Henrik Lund Mortensen has demonstrated the algorithms capability in solving a broad spectrum of problems, as well as shown the great potential that lies within further development of such an algorithm. 

The PhD study was completed at Department of Physics and Astronomy, Faculty of Natural Sciences, Aarhus University.

This summary was prepared by the PhD student.

Time: Wednesday 5th of May 2021 at 13:00
Place: The PhD defence will be held online. To receive a link to the event, please send an e-mail to Ann-Berit Porse Stærkær aps@phys.au.dk.
Title of PhD thesis: Atomistic structure prediction with reinforcement learning

Contact information:  Henrik Lund Mortensen, e-mail:henriklundmortensen@gmail.com, tlf.: +45 29263369

Members of the assessment committee:

Associate Professor  Patrick Rinke, School of Science Aalto University Finland.

Associate professor Volker Deringer, Department of Chemistry University of Oxford, England

Associate Professor Karsten Riisager, Department of Physics and Astronomy, Aarhus University (chair)

Main supervisor:
Professor Bjørk Hammer, Institut for Fysik og Astronomi, Aarhus University, Denmark

Language: The PhD dissertation will be defended in English

The defence is public.
Due to the coronavirus situation, the PhD thesis will not be available for reading at the offices of the PhD administration. Instead, interested parties may send an e-mail to gradschool.nat@au.dk to receive a digital copy of the PhD thesis. Please note, it may in certain cases be necessary to make an individual arrangement to read the PhD thesis.

PhD defence
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