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Quanten-Theorie der Materialien; IAS-1 AND Theoretische Nanoelektronik; IAS-3

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Quanten-Theorie der Materialien; IAS-1 AND Theoretische Nanoelektronik; IAS-3

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Conference Presentation 18 Poster 17 Journal Article 10 Contribution to a book 4 Contribution to a conference proceedings 4 Book 1 Proceedings 1 more ... Talk (non-conference) 1 less ...

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1

Contribution to a conference proceedings
Contribution to a book

KKRnano: Density Functional Theory application for a million atoms

Bornemann, Marcel
2017

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Conference Presentation

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

Bornemann, Marcel
2017

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Contribution to a book

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

Baumeister, Paul F.
2017

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4

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

Zeller, Rudolf
2016

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5

Forces in the KKR method

Kovacik, Roman
2016

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6

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Addressing Materials Science Challenges Using GPU-accelerated POWER8 Nodes

Baumeister, Paul F.
2016

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7

Conference Presentation

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

Bornemann, Marcel
2016

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8

Journal Article

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

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9

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

Bornemann, Marcel
2015

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10

Theoretical Studies of Electronic Structure and Magnetic Property in Transition Metaldoped Ge2Sb2Te5 by Order-N Screened Korringa-Kohn-Rostoker Green’s Function Method

Fukushima, T.
2015

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11

Conference Presentation

KKRnano: DFT for nano-scale systems

Rabel, Elias
2014

2014

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12

Conference Presentation

Large-scale density functional theory study of localization of donor electrons in phosphorus-doped silicon

Xu, Pengxiang
2014

2014

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13

Journal Article

First-principles study of magnetic interactions in $3d$ transition metal-doped phase-change materials

Fukushima, T.
2014

Physical Review B Physical review / B, 90 90 (2014 2014) 14 14, S. 144417 144417

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14

Large-scale density functional theory study of phosphorus-doped silicon

Xu, P.
2014

2014

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15

Journal Article

Hubbard U calculations for gap states in dilute magnetic semiconductors

Fukushima, T.
2014

Journal of physics / Condensed matter, 26 (2014) 27, S. 274202

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16

Conference Presentation

Anisotropic charge oscillations induced by non-magnetic impurities on Fe/W(001)

Bouhassoune, Mohammed
2013

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17

Conference Presentation

Complex Magnetism in Fe nanoclusters on Ir(111)

Bauer, David
2013

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18

KKRnano: Improvements in efficiency and order-N scaling for use on massively parallel computers

Rabel, Elias
2013

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19

Conference Presentation

Metal-Insulator Transitions of Crystalline Phase-Change Materials

Zhang, Wei
2013

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20

Extending the length scale of accurate density-functional calculations

Zeller, Rudolf
2013

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Publications database Open Access 9

Conference Presentation 18 Poster 17 Journal Article 10 Contribution to a book 4 Contribution to a conference proceedings 4 Book 1 more ... Proceedings 1 Talk (non-conference) 1 see all ... less ...

Zeller, Rudolf 44 Blügel, Stefan 41 Dederichs, Peter H. 21 Thiess, A. 17 Mavropoulos, Phivos 14 Rabel, Elias 12 more ... Bornemann, Marcel 7 Thiess, Alexander 7 Baumeister, Paul F. 6 Kovacik, Roman 6 Mazzarello, R. 6 Zhang, W. 6 Bihlmayer, Gustav 5 Bolten, M. 5 Mokrousov, Y. 5 Heers, S. 4 Katayama-Yoshida, H. 4 Sato, K. 4 Zimmermann, Bernd 4 Bauer, David 3 Bergqvist, L. 3 Fukushima, T. 3 Lezaic, M. 3 Slipukhina, I. 3 Wuttig, M. 3 Zalden, P. 3 Atodiresei, Nicolae 2 Fujii, H. 2 Fukushima, Tetsuya 2 Hater, Thorsten 2 see all ... less ...

Grundlagen für zukünftige Informationstechnologien 22 Spin-based and quantum information 14 Controlling Spin-Based Phenomena 6 Controlling Configuration-Based Phenomena 5 Frontiers of charge based Electronics 5 Supercomputer Facility 4 more ... Controlling Collective States 3 Quantum description of nanoscale processes in materials science 3 Computational Science and Mathematical Methods 2 Quantensimulation für realistische Grenzflächen in Nanosystemen 2 Exploratory materials and phenomena 1 Kondensierte Materie 1 Non-equilibrium dynamics of fermionic atoms in optical lattices; transport at oxide interfaces (jiff23_20090701) 1 see all ... less ...

Quanten-Theorie der Materialien; IAS-1 Theoretische Nanoelektronik; IAS-3 Quanten-Theorie der Materialien; PGI-1 34 Theoretische Nanoelektronik; PGI-2 22 Theorie der Strukturbildung; IFF-3 15 Quanten-Theorie der Materialien; IFF-1 14 more ... JARA-FIT; JARA-FIT 10 GRS; GRS 7 JARA - HPC; JARA-HPC 6 Jülich Supercomputing Center; JSC 5 Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM 2 JARA-HPC 1 see all ... less ...

2010 11 2012 11 2013 7 2014 5 2017 4 2011 3 more ... 2015 3 2016 3 2008 2 2009 2 2007 1 see all ... less ...

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