JuLib | Articles & more - {"JARA

1

Journal Article

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Bosoni, Emanuele
2024

Nature reviews / Physics, 6 (2024) S. 45-58

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess Restricted

2

Journal Article

Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *

Gerhorst, Christian-Roman
2024

Electronic structure, 6 (2024) 1, S. 017001 -

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

3

Journal Article

Atomic Diffusion-Induced Polarization and Superconductivity in Topological Insulator-Based Heterostructures

Wei, Xiankui
2024

ACS nano, 18 (2024) 1, S. 571-580

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

4

Journal Article

Interorbital Cooper pairing at finite energies in Rashba surface states

Rüssmann, Philipp
2023

Physical review research, 5 (2023) 4, S. 043181

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

5

Journal Article

A Physical Description of the Variability in Single‐ReRAM Devices and Hardware‐Based Neuronal Networks

Funck, Carsten
2023

Advanced intelligent systems, 1 (2023) S. 2300129

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

6

Conference Presentation

Electron-Magnon Scattering in Elementary Ferromagnets

Blügel, Stefan
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

7

Conference Presentation

New magnetic phases at surfaces

Blügel, Stefan
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

8

Conference Presentation

Recent Progress of theFull-Potential Linearized Augmented Plane-Wave (FLAPW) Method

Blügel, Stefan
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

9

Dataset

Pd-doping of Bi₂Te₃ and superconductivity of Pd(Bi,Te)x from density functional theory

Rüssmann, Philipp
2023

2023.99

“...JARA - HPC; JARA-HPC JARA - HPC...”

10

Preprint

Flat band-engineered spin-density wave and the emergent multi-$k$ magnetic state in the topological kagome metal Mn$_{3}$Sn

Wang, Xiao
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

11

Poster

Atomistic Simulation of ionic liquids as novel fuel cell electrolytes

Parisi, Federico
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

12

Talk (non-conference)

Modeling of Energy Materials: Lessons learned from Geoscience

Kowalski, Piotr
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

13

Conference Presentation

Refined DFT＋U Method for Computation of Layered Oxide Cathode Materials

Ting, Yin-Ying
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

14

Poster

Understanding electrocatalytic behavior of Fe:NiOOH catalysts for the oxygen evolution reaction

Tesch, Rebekka
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

15

Conference Presentation

Towards accurate computation of charged electrochemical interfaces at realistic reaction conditions

Tesch, Rebekka
2023

“...JARA - HPC; JARA-HPC JARA - HPC...”

16

Journal Article

Refined DFT＋ U method for computation of layered oxide cathode materials

Ting, Yin-Ying
2023

Electrochimica acta, 443 (2023) S. 141912 -

“...JARA - HPC; JARA-HPC JARA - HPC...”

17

Journal Article

Low-spin state of Fe in Fe-doped NiOOH electrocatalysts

He, Zhengda
2023

Nature Communications, 14 (2023) 1, S. 3498

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

18

Journal Article

Photocurrents, inverse Faraday effect, and photospin Hall effect in Mn2Au

Mokrousov, Yuriy
2023

APL materials, 11 (2023) 7, S. 071106

“...JARA - HPC; JARA-HPC JARA - HPC...”
Get full text OpenAccess

19

Journal Article

Heliknoton in a film of cubic chiral magnet

Kuchkin, Vladyslav
2023

Frontiers in physics, 11 (2023) S. 1201018

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

20

Journal Article

Stability of hopfions in bulk magnets with competing exchange interactions

Sallermann, Moritz
2023

Physical review / B, 107 (2023) 10, S. 104404

“...JARA - HPC; JARA-HPC JARA - HPC...”
OpenAccess

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