SDLCPS

Recent Publications

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS | 

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Preprint Wang, X. ; Zhu, F. ; Yang, X. ; Meven, M.RWTH*FZJ* ; Mi, X. ; Yi, C. ; Song, J. ; Mueller, T.FZJ* ; Schmidt, W.FZJ* ; Schmalzl, K.FZJ* ; Ressouche, E. ; Xu, J.FZJ* ; He, M. ; Shi, Y. ; Feng, W. ; Mokrousov, Y.FZJ* ; Blügel, S.FZJ* ; Roth, G. ; Su, Y.FZJ*
Flat band-engineered spin-density wave and the emergent multi-$k$ magnetic state in the topological kagome metal Mn$_{3}$Sn
arXiv (2023) [10.48550/ARXIV.2306.04312]2023   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Balasubramani, S. G. ; Chen, G. P. ; Coriani, S. ; Diedenhofen, M. ; Frank, M. S. ; Franzke, Y. J. ; Furche, F. ; Grotjahn, R. ; Harding, M. E. ; Hättig, C. ; Hellweg, A. ; Helmich-Paris, B. ; Holzer, C. ; Huniar, U. ; Kaupp, M. ; Marefat Khah, A. ; Karbalaei Khani, S. ; Müller, T.FZJ* ; Mack, F. ; Nguyen, B. D. ; Parker, S. M. ; Perlt, E. ; Rappoport, D. ; Reiter, K. ; Roy, S. ; Rückert, M. ; Schmitz, G. ; Sierka, M. ; Tapavicza, E. ; Tew, D. P. ; van Wüllen, C. ; Voora, V. K. ; Weigend, F. ; Wodyński, A. ; Yu, J. M. (Corresponding author)
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
The journal of chemical physics 152(18), 184107 - (2020) [10.1063/5.0004635]2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Conference Presentation (After Call) Alekseeva, U.FZJ* ; Sutmann, G.FZJ* ; Winkler, R. G. (Corresponding author)FZJ*
Hydrodynamics in Adaptive Resolution Particle Simulations: Multiparticle Collision Dynamics
2017Mainz Materials Simulation Days 2017, MainzMainz, Germany, 12 Jun 2017 - 14 Jun 20172017-06-122017-06-14 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Aquilante, F. ; Autschbach, J. ; Carlson, R. K. ; Chibotaru, L. F. ; Delcey, M. G. ; De Vico, L. ; Galván, I. F. ; Ferré, N. ; Frutos, L. M. ; Gagliardi, L. ; Garavelli, M. ; Giussani, A. ; Hoyer, C. E. ; Li Manni, G. ; Lischka, H. ; Ma, D. ; Malmqvist, P. Å. ; Mueller, T.FZJ* ; Nenov, A. ; Olivucci, M. ; Pedersen, T. B. ; Peng, D. ; Plasser, F. ; Pritchard, B. ; Reiher, M. ; Rivalta, I. ; Schapiro, I. ; Segarra-Martí, J. ; Stenrup, M. ; Truhlar, D. G. ; Ungur, L. ; Valentini, A. ; Vancoillie, S. ; Veryazov, V. (Corresponding author) ; Vysotskiy, V. P. ; Weingart, O. ; Zapata, F. ; Lindh, R. (Corresponding author)
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Journal of computational chemistry 37(5), 506 - 541 (2016) [10.1002/jcc.24221]2016   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Wang, T. (Corresponding author) ; Begau, C. (Corresponding author) ; Sutmann, G. (Corresponding author)FZJ* ; Hartmaier, A. (Corresponding author)
Large scale Molecular Dynamics simulation of microstructure formation during thermal spraying of pure copper
Surface and coatings technology 280, 72 - 80 (2015) [10.1016/j.surfcoat.2015.08.034]2015   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Allalen, M. ; Brayford, D. ; Tafani, D. ; Weinberg, V. ; Mohr, B.FZJ* ; Brömmel, D.FZJ* ; Halver, R.FZJ* ; Meinke, J.FZJ* ; Mohanty, S.FZJ*
The Mont-Blanc Project: First Phase successfully finished
Innovatives Supercomputing in Deutschland 13(2), 54-57 (2015)2015   Files  Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a conference proceedings/Contribution to a book Alrutz, T. (Corresponding author) ; Backhaus, J. ; Brandes, T. ; End, V. ; Gerhold, T. ; Geiger, A. ; Grünewald, D. ; Heuveline, V. ; Jägersküpper, J. ; Knüpfer, A. ; Krzikalla, O. ; Kügeler, E. ; Lojewski, C. ; Lonsdale, G. ; Müller-Pfefferkorn, R. ; Nagel, W. ; Oden, L. ; Pfreundt, F.-J. ; Rahn, M. ; Sattler, M. ; Schmidtobreick, M. ; Hagemeier, A.FZJ* ; Simmendinger, C. ; Soddemann, T. ; Sutmann, G.FZJ* ; Weber, H. ; Weiss, J.-P.
GASPI – A Partitioned Global Address Space Programming Interface
2013Facing the Multicore-Challenge III / Keller, Rainer (editor); Kramer, David (editor); Weiss, Jan-Philipp (editor); Berlin, Heidelberg : Springer Berlin Heidelberg, 2013, Chapter 18 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-642-35892-0=978-3-642-35893-7 ; doi:10.1007/978-3-642-35893-7
Facing the Multicore-Challenge, StuttgartStuttgart, Germany, 19 Sep 2012 - 21 Sep 20122012-09-192012-09-21 Berlin, Heidelberg : Springer Berlin Heidelberg, Lecture notes in computer science 7686, 135 - 136 (2013) [10.1007/978-3-642-35893-7_18]2013 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Zeleny, T. ; Ruckenbauer, M. ; Aquino, A. J. A. ; Müller, T.FZJ* ; Lankas, F. ; Drsata, T. ; Hase, W. L. ; Nachtigallova, D. ; Lischka, H.
Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine
Journal of the American Chemical Society 134, 13662 - 13669 (2012) [10.1021/ja3028845]2012 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Poster Westphal, L.FZJ* ; Sutmann, G.FZJ*
Ewald Summation for the Rotne-Prager-Tensor: Error Analysis and Optimization
2010WE-Heraeus Summer School Fast Methods for Long-Range Interactions in Complex Systems
Seminar, JülichJülich, 6 Sep 20102010-09-06 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Poster Westphal, L.FZJ* ; Sutmann, G.FZJ*
Ewald-Summation for the Rotne-Prager Tensor: Error Analysis and Parameter Optimisation
2009Multiscale Simulation Methods in Molecular Sciences - Winter School 2009
Seminar, JülichJülich, 2 Mar 20092009-03-02 BibTeX | EndNote: XML, Text | RIS

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS |