WE-Heraeus workshop on First-principles Green function formalisms

First-principles Green function formalisms: algorithms, method developments and applications to spinorbitronics and magneto-superconductivity

4-7 of September 2023, Athens, Greece

The WE-Heraeus workshop entitledFirst-principles Green function formalisms: algorithms, method developments and applications to spinorbitronics and magneto-superconductivity” took place from 4-7 of September in Athens, Greece. After years of only online meetings, the generous funding by the Psi-k charity and the WE-Heraeus Foundation made it possible to bring together the ab-initio Green function community in person. This workshop fostered networking opportunities and important personal exchange among different groups of method developers in the ab-initio Green function community. This was further stimulated by the complementary coffee breaks and lunches that were served in the rooms of the Kostis Palamas building of the National and Kapodistrian University of Athens where the entire workshop took place.

The 49 participants from 25 Institutions (13 countries from three continents) made the workshop a complete success. In a mix of invited talks, contributed talks, poster presentations and round table discussions, the workshop offered a forum for lively discussions and exchange of ideas in the community in the field of Green’s function based first-principles approaches to magnetism, spintronics and superconductivity. The workshop started with sessions of spinorbitronics and superconductivity and continued with presentations on ultrafast dynamics, methods beyond DFT and aspects of next generation exascale computing. Furthermore, talks on complex magnetism and the connection between superconductivity and magnetism were covered in several invited and contributed talks. Throughout the workshop the participants of this workshop discussed aspects of method development, high-performance computing algorithms and data science challenges. Moreover, timely research topics on magnetotransport properties, magnetization dynamics and complex magnetism sparked the scientific exchange. Finally, also the aspect of superconductivity and the connection of superconductivity and magnetism let to lively exchange. The workshop concluded with round table discussions where important aspects for the future like future computing architectures, the importance of machine learning, sustainable code development and a roadmap for the next Green function workshop was discussed.

Overall, the participants expressed their satisfaction with the workshop and greatly appreciated the possibility to meet their peers for in-depth exchange and networking within the world-wide ab-initio Green function community.

Organization Committee

  • Philipp Rüßmann ([email protected]), University of Würzburg, Germany
  • Manuel dos Santos Dias ([email protected]), STFC Daresbury Laboratory, United Kingdom
  • Dr. Samir Lounis ([email protected]), Forschungszentrum Jülich and University of Duisburg-Essen, Germany
  • Dr. Phivos Mavropoulos ([email protected]), National and Kapodistrian University of Athens, Greece

Detailed Program

A detailed booklet that includes the abstracts of the presentations is provided on the workshop’s website: https://go.fzj.de/gf2023-program

List of participants

Name Institution Country
Nicholas Kioussis California State University Northridge, USA
Ondrej Sipr FZU – Institute of Physics, Czech Republic
Mark van Schilfgaarde National Renewable Energy Laboratories, USA
Kyungwha Park Virginia Tech, USA
Anna Delin KTH, Sweden
Hubert Ebert Ludwig-Maximilians-University Munich, Germany
Jürgen Henk Martin Luther University Halle, Germany
Franziska Ziolkowski Martin Luther University Halle, Germany
Jerome Jackson STFC Daresbury Laboratory, United Kingdom
Irene Aguilera University of Amsterdam, The Netherlands
Johannes Wasmer Forschungszentrum Jülich, Germany
Rudolf Zeller Forschungszentrum Jülich, Germany
Markus Eisenbach National Center for Computational Sciences, USA
Sergiy Mankovskyy Ludwig-Maximilians-University of Munich, Germany
Nihad AbuAwwad Forschungszentrum Jülich, Germany
Juba Bouaziz Forschungszentrum Jülich, Germany
Krisztian Palotas Wigner Research Center for Physics, Hungary
Kirill Belashchenko University of Nebraska-Lincoln, USA
Laszlo Szunyogh Budapest University of Technology and Economics, Hungary
Sebastian Paischer Johannes Kepler University Linz, Austria
Akash Bajaj Trinity College Dublin, Ireland
Antimo Marrazzo University of Trieste, Italy
Tom G. Saunderson University of Mainz, Germany
Balázs Ujfalussy Wigner Research Centre for Physics, Hungary
Uriel Aceves Forschungszentrum Jülich & University of Duisburg-Essen, Germany
Bendegúz Nyári Budapest University of Technology and Economics, Hungary
András Lászlóffy Wigner Research Centre for Physics, Hungary
Silke Biermann Ecole Polytechnique, France
Jan Minar University of West Bohemia, Czech Republic
David Antognini Silva Forschungszentrum Jülich, Germany
Masoumeh Davoudiniya Uppsala University, Sweden
David Eilmsteiner Johannes Kepler University Linz, Austria
Mohammad Hemmati Forschungszentrum Jülich, Germany
Ilias Klepetsanis Forschungszentrum Jülich, Germany
Adamantia Kosma Forschungszentrum Jülich, Germany
Nóra Kucska Wigner Research Centre for Physics, Hungary
Vivek Kumar IISER Bhopal, India
Leon Petit STFC Daresbury Laboratory, United Kingdom
Svitlana Polesya Ludwig-Maximilians-University of Munich, Germany
Selcuk Sözeri University of Duisburg-Essen & CENIDE, Germany
Sufyan Shehada Forschungszentrum Jülich, Germany
László Udvardi Budapest University of Technology and Economics, Hungary
Moritz Winterott Forschungszentrum Jülich, Germany
Hangyu Zhou Forschungszentrum Jülich, Germany
Stefan Blügel Forschungszentrum Jülich, Germany
Philipp Rüßmann University of Würzburg &FZ Jülich, Germany
Manuel dos Santos Dias STFC Daresbury Laboratory, United Kingdom
Samir Lounis FZ Jülich, and University of Duisburg-Essen, Germany
Phivos Mavropoulos National and Kapodistrian University of Athens, Greece

 

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