Gast ::
| Hauptseite > Online First > Linear-Scaling Green Function DFT Calculations using KKRnano - A hands-on workshop > print |
| Hauptseite > Online First > Linear-Scaling Green Function DFT Calculations using KKRnano - A hands-on workshop > print |
| 001 | 1049740 | ||
| 005 | 20251227210545.0 | ||
| 037 | _ | _ | |a FZJ-2025-05524 |
| 041 | _ | _ | |a English |
| 100 | 1 | _ | |a Baumeister, Paul F. |0 P:(DE-Juel1)156619 |b 0 |e Corresponding author |u fzj |
| 111 | 2 | _ | |a KKRnano hands-on workshop |c Jülich |d 2025-07-29 - 2025-07-30 |w Germany |
| 245 | _ | _ | |a Linear-Scaling Green Function DFT Calculations using KKRnano - A hands-on workshop |
| 260 | _ | _ | |c 2025 |
| 336 | 7 | _ | |a lecture |2 DRIVER |
| 336 | 7 | _ | |a Generic |0 31 |2 EndNote |
| 336 | 7 | _ | |a MISC |2 BibTeX |
| 336 | 7 | _ | |a Lecture |b lecture |m lecture |0 PUB:(DE-HGF)17 |s 1766865892_1418 |2 PUB:(DE-HGF) |x Plenary/Keynote |
| 336 | 7 | _ | |a LECTURE_SPEECH |2 ORCID |
| 336 | 7 | _ | |a Text |2 DataCite |
| 520 | _ | _ | |a This lecture is an introduction to linear-scaling density functional theory (DFT) calculations in the framework of the Korringa-Kohn-Rostoker (KKR) multiple scattering method.We specifically focus onto the Green's function DFT implementation KKRnano.This includes aspects like field of application, representation of physical quantities, range-based truncation, parallelization in distributed memory and GPU acceleration.The slides are useful for an introductory talk before teaching the basic handling of KKRnano. |
| 536 | _ | _ | |a 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) |0 G:(DE-HGF)POF4-5111 |c POF4-511 |f POF IV |x 0 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/1049740/files/20250729_Baumeister_KKRnano.pdf |y Restricted |
| 910 | 1 | _ | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 0 |6 P:(DE-Juel1)156619 |
| 913 | 1 | _ | |a DE-HGF |b Key Technologies |l Engineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action |1 G:(DE-HGF)POF4-510 |0 G:(DE-HGF)POF4-511 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-500 |4 G:(DE-HGF)POF |v Enabling Computational- & Data-Intensive Science and Engineering |9 G:(DE-HGF)POF4-5111 |x 0 |
| 914 | 1 | _ | |y 2025 |
| 920 | _ | _ | |l yes |
| 920 | 1 | _ | |0 I:(DE-Juel1)JSC-20090406 |k JSC |l Jülich Supercomputing Center |x 0 |
| 920 | 1 | _ | |0 I:(DE-Juel1)IAS-1-20090406 |k IAS-1 |l Quanten-Theorie der Materialien |x 1 |
| 980 | _ | _ | |a lecture |
| 980 | _ | _ | |a EDITORS |
| 980 | _ | _ | |a VDBINPRINT |
| 980 | _ | _ | |a I:(DE-Juel1)JSC-20090406 |
| 980 | _ | _ | |a I:(DE-Juel1)IAS-1-20090406 |
| 980 | _ | _ | |a UNRESTRICTED |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|