Computational materials science applied to solid state physics

Dnr:

SNIC 2017/11-55

Type:

SNAC Large

Principal Investigator:

Olle Eriksson

Affiliation:

Uppsala universitet

Start Date:

2017-07-01

End Date:

2018-07-01

Primary Classification:

10304: Den kondenserade materiens fysik

Secondary Classification:

10302: Atom- och molekylfysik och optik

Tertiary Classification:

21001: Nanoteknik

Webpage:

http://www.physics.uu.se/mattheo

Allocation

Abstract

This proposal deals with theory and simulations of advanced functional materials. The planned project can be divided up into several sub-projects, that involve studies of novel permanent magnets, spin-dynamics, skyrmionics, and correlated electron systems. All investigations will be based on ab initio density functional theory based methods and in some cases, in-house codes such as UppASD for spin dynamics and RSPt+DMFT for dynamical mean field theory. Our computational need is quite high concerning the complexity of the topics and the number of users involved.