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Hillert Materials Modeling Colloquium series VII: Theory of materials

– What can be calculated and what can not

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Professor Olle Eriksson, from Ångström laboratory at Uppsala University, will discuss the theoretical foundation for a materials specific theory for determining properties of materials, as well as the basic ingredients behind density functional theory.

Time: Tue 2022-10-25 15.00 - 16.00

Video link: https://kth-se.zoom.us/j/68021300112

Language: English

Participating: Olle Eriksson

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In this presentation the theoretical foundation for a materials specific theory for determining properties of materials will be discussed. The basic ingredients behind density functional theory will be presented, including examples of how this ab-initio theory can be used to reproduce, or even predict, materials properties. Examples of predictions of materials with reduced dimensionality with be discussed, as well as suggestions for novel functional magnets. Shortcomings of density functional will also be discussed, e.g. where electron correlations become particularly important, or where the functionals use seem to not have sufficient accuracy.

Lecturer

Olle Eriksson
Olle Eriksson.

Olle Eriksson is professor the Division of Materials Theory, which is hosted in the Ångström laboratory. The division currently hosts some 80 researchers, counting Professors, Associate Professors, Assistant Professors, Postdocs and PhD students, that are all devoted to the theoretical description of materials. Among the senior staff at this division one may notice Dr. Nordström, Dr. Sanyal, Prof. Ahuja, Prof. Opeeneer, Prof. Black-Schaffer, Prof. Fransson and Prof. Sjöqvist. The activities of the division involve development and applications of methods for describing properties of materials in general, including e.g. electronic structure, magnetism, ion-transport, electron transport, many body physics, and quantum entanglement. Prof. Eriksson has been active in this field for the past 35 years and has led many EU networks, ERC projects, KAW projects and holds a VR rådsprofessor program. He is since 2022 vice-director for the WISE program (https://wise-materials.org/) that is focused on materials science and sustainable technologies, an effort that is funded by the Knut and Allice Wallenberg foundation.

Hillert Materials Modeling Colloquium Series is arranged by Hillert Modeling Laboratory
Department of Materials Science and Engineering
KTH Royal Institute of Technology

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Levente Vitos
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Belongs to: Hillert Modeling Laboratory
Last changed: Nov 22, 2022