JuLib | Articles & more - {"Quanten-Theorie der Materialien; IAS-1"}

Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations

Winkelmann, Miriam
2021

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

3

Rducing the cost of Kohn-Sham Total-Energy Calculations

Zeller, Rudolf
2019

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

4

Contribution to a book

KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets

Bornemann, Marcel
2019

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

5

KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets

Bornemann, Marcel
2019

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

6

Complex magnetism of B20-MnGe: from spin-spirals, hedgehogs to monopoles

Bornemann, Marcel
2019

Journal of physics / Condensed matter Condensed matter, 31 (2019) 48, S. 485801

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

7

Precise total-energy calculations at a significantly reduced cost

Zeller, Rudolf
2018

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

8

Large-scale ab initio investigations of complex magnetic textures

Bornemann, Marcel
2018

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

9

Structure of the high-entropy alloy Al CrFeCoNi: fcc versus bcc

Ogura, Masako
2017

Journal of alloys and compounds, 715 (2017) S. 454 - 459

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

10

Contribution to a conference proceedings
Contribution to a book

Local Energies and Energy Fluctuations — Applied to the High Entropy Alloy CrFeCoNi

Fukushima, Tetsuya
2017

Journal of the Physical Society of Japan, 86 (2017) 11, S. 114704 -

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

11

KKRnano: Density Functional Theory application for a million atoms

Bornemann, Marcel
2017

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

12

Investigation of three-dimensional skyrmion structure of MnGe from first-principles

Bornemann, Marcel
2017

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

13

Contribution to a book

Exascale Scientific Applications: Programming Approaches for Scalability, Performance, and Portability: KKRnano

Baumeister, Paul F.
2017

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

14

KKRnano: Green-function density-functional calculations for thousands of atoms

Zeller, Rudolf
2016

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

15

Forces in the KKR method

Kovacik, Roman
2016

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

16

Proceedings
Book

Addressing Materials Science Challenges Using GPU-accelerated POWER8 Nodes

Baumeister, Paul F.
2016

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

17

KKRnano: A Massively Parallel KKR Green's Function Code for Large Scale Systems

Bornemann, Marcel
2016

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

18

Systematic study of the exchange interactions in Gd-doped GaN containing N interstitials, O interstitials, or Ga vacancies

Thiess, Alexander
2015

Physical Review B Physical review / B, 92 92 (2015 2015) 10 10, S. 104418 104418

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

19

KKRnano: A Massively Parallel KKR Green Function Method for Large Scale Systems

Bornemann, Marcel
2015

“...Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien...”

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