Computational materials science applied to solid state physics
Title: Computational materials science applied to solid state physics
SNIC Project: SNIC 2014/8-7
Project Type: SNAC Large
Principal Investigator: Olle Eriksson <olle.eriksson@physics.uu.se>
Affiliation: Uppsala university
Duration: 2014-07-01 – 2015-07-01
Classification: 10304 10302 21001
Homepage: http://www.physics.uu.se/mattheo
Keywords:

Abstract

This proposal deals with theory and simulations of advanced functional materials. We aim to study the following topics, (i) spin dynamics, (ii) graphene and other 2D materials, as well as molecular-interface systems, (iii) topological crystals of time, Skyrmionics and Magnonics (iv) correlated electron materials, (v) novel permanent magnets and (vi) Amorphous materials. All these topics will be studied by 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.