JuLib | Articles & more

The FLAPW code FLEUR: scaling and performance improvements on the route towards the exascale

Wortmann, Daniel
2018

22

The AiiDA-FLEUR package and how you can predict XPS spectra with it

Bröder, Jens
2018

23

Mixed topological semimetals in two-dimensional spin-orbit ferromagnets

Niu, Chengwang
2018

24

Ab initio study of oxygen vacancy formation and migration in HfO2 under electric field

Gibertini, Marta
2018

25

Hybrid parallelisation and performance optimisation of the FLEUR code

Alekseeva, Uliana
2018

26

Performance evolution of the FLEUR code

Alekseeva, Uliana
2018

27

Performance evolution of the FLEUR code

Alekseeva, Uliana
2018

28

Two-dimensional topological nodal line semimetal in layered X 2 Y ( X = Ca , Sr, and Ba; Y = As , Sb, and Bi)

Niu, Chengwang
2017

Physical Review B Physical review / B, 95 95 (2017 2017) 23 23, S. 235138 235138

OpenAccess OpenAccess

29

All-electron DFT for Materials Simulations: Applications of the FLEUR code to calculate XPS spectra of W-alloys

Wortmann, Daniel
2017

30

Electronic structure methods

Wortmann, Daniel
2017

31

AiiDA Workflows with FLEUR for X-ray Photoelectron Spectroscopy

Bröder, Jens
2017

32

Engineering topological phases in crystalline symmetry-protected monolayers

Niu, Chengwang
2017

33

Investigation of oxygen vacancy formation and migration in HfO2 from density functional theory

Gibertini, Marta
2017

34

Robust dual topological character with spin-valley polarization in a monolayer of the Dirac semimetal Na 3 Bi

Niu, Chengwang
2017

Physical Review B Physical review / B, 95 95 (2017 2017) 7 7, S. 075404 075404

OpenAccess OpenAccess

35

AiiDA Workflows with FLEUR for X-ray photoemission Spectroscopy

Bröder, Jens
2017

36

Topological invariants of band insulators derived from the local-orbital based embedding potential

Ishida, H.
2017

Physical Review B Physical review / B, 96 96 (2017 2017) 12 12, S. 125413 125413

OpenAccess OpenAccess

37

Talk (non-conference)

Electron Tunneling

Wortmann, Daniel
2016

38

Two-dimensional topological crystalline insulator phase in quantum wells of trivial insulators

Niu, Chengwang
2016

2D Materials, 3 (2016) 2, S. 025037

39

DFT-simulations of W-Be-alloys for ITER

Bröder, Jens
2016

40