Computational materials science applied to solid state physics
| Title: |
Computational materials science applied to solid state physics |
| DNr: |
SNIC 2015/10-28 |
| Project Type: |
SNIC Large Compute |
| Principal Investigator: |
Olle Eriksson <olle.eriksson@physics.uu.se> |
| Affiliation: |
Uppsala universitet |
| Duration: |
2015-07-01 – 2016-07-01 |
| Classification: |
10304 10302 21001 |
| Homepage: |
http://www.physics.uu.se/mattheo |
| Keywords: |
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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 magnetic molecules, metallic glasses, novel permanent magnets, spin-dynamics 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.
