Dr. Philipp Rüßmann

Visiting Postdoc from JMU Würzburg at Peter Grünberg Institute (PGI-1) and Institute for Advanced Simulation (IAS-1)

Kontakt

+49 2461/61-4399

E-Mail

https://www.fz-juelich.de/en/pgi/pgi-1/groups/materials-for-quantum-information-technology

Orcid

Google scholar

The JuKKR code package

Adresse

Forschungszentrum Jülich GmbH
Wilhelm-Johnen-Straße
52428 Jülich

Peter Grünberg Institut (PGI)

Quanten-Theorie der Materialien (PGI-1/IAS-1)

Gebäude 04.8 / Raum 130

About me

I am a theoretical physicist working on developing and applying quantum mechanical simulation methods and I am also leading the Korringa-Kohn-Rostoker Green Function group at the PGI-1/IAS-1. I am responsible for the development and maintenance of the respective open-source code family JuKKR. The JuKKR suite consists of a list of codes that are specialized for different use cases. The codes are linked to AiiDA, a high-throughput environment for autonomous computing via the AiiDA-KKR plugin.

Research fields

Ab initio electronic-structure theory: Density functional theory (DFT), Korringa-Kohn-Rostoker Green function theory and method, multiple scattering theory and transport phenomena, ab-initio Bogoliubov de Gennes method for superconductivity

Method development: High-throughput and high-performance computing, parallelization and performance optimization on supercomputers, open source software, materials informatics, machine learning

Quantum materials: Topological insulators, Weyl and Dirac semimetals, quantum anomalous Hall insulators, magnetic interactions, physics of surfaces, interfaces, defects and impurities, spintronics and spinorbitronics, superconducting heterostructures for topological qubits

Vita

Publikationen

Selected publications, for complete list check out my Google scholar profile.

A. P. Weber, P. Rüßmann, N. Xu, S. Muff, M. Fanciulli, A. Magrez, P. Bugnon, H. Berger, N. C. Plumb, M. Shi, S. Blügel, P. Mavropoulos, and J. H. Dil, Spin-Resolved Electronic Response to the Phase Transition in MoTe₂, Phys. Rev. Lett. 121, 156401 (2018).
P. Rüßmann, P. Mavropoulos, and S. Blügel, Lifetime and surface-to-bulk scattering off vacancies of the topological surface state in the three-dimensional strong topological insulators Bi₂Te₃ and Bi₂Se₃, Journal of Physics and Chemistry of Solids 128, 258-264 (2019).
A. Tcakaev, V. B. Zabolotnyy, C. I. Fornari, P. Rüßmann, T. R. F. Peixoto, F. Stier, M. Dettbarn, P. Kagerer, E. Weschke, E. Schierle, P. Bencok, P. H. O. Rappl, E. Abramof, H. Bentmann, E. Goering, F. Reinert, and V. Hinkov, Incipient antiferromagnetism in the Eu-doped topological insulator Bi₂Te₃, Phys. Rev. B 102, 184401 (2020). Editors suggestion
P. Rüßmann, F. Bertoldo, and S. Blügel, The AiiDA-KKR plugin and its application to high- throughput impurity embedding into a topological insulator, npj Comput Mater 7, 13 (2021).
P. Rüßmann, and S. Blügel, Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces, Phys. Rev. B 105, 125143 (2022).
S. Ghosh, P. Rüßmann, Y. Mokrousov, F. Freimuth, A. Kosma, Perspective on spin–orbit torque, topology, and reciprocal and real-space spin textures in magnetic materials and heterostructures, Journal of Applied Physics 133, 230901 (2023).
P. Rüßmann, D. Antognini Silva, M. Hemmati, I. Klepetsanis, B. Trauzettel, P. Mavropoulos, S. Blügel, Density-functional description of materials for topological qubits and superconducting spintronics, Proc. SPIE 12656, Spintronics XVI, 126560S (2023). doi: 10.1117/12.2678145
P. Rüßmann, M. Bahari, S. Blügel, B. Trauzettel, Inter-orbital Cooper pairing at finite energies in Rashba surface states, Phys. Rev. Research 5, 043181 (2023).
X.-K. Wei, A. Rehman Jalil, P. Rüßmann, Y. Ando, D. Grützmacher, S. Blügel, J. Mayer, Atomic Diffusion-Induced Polarization and Superconductivity in Topological Insulator-Based Heterostructures, ACS Nano 18 (1) 571-580 (2023).

Scientific software development:

P. Rüßmann, J. Ribas Sobreviela, M. Sallermann, M. Hoffmann, F. Rhiem, and S. Blügel (2022). JuDFTteam/aiida-spirit. Zenodo. doi: 10.5281/zenodo.8070769
P. Rüßmann, D. Antognini Silva, F. Bertoldo, J. Bröder, J. Chico, R. Mozumder, J. Wasmer, and S. Blügel (2023). JuDFTteam/aiida-kkr. Zenodo. doi: 10.5281/zenodo.3663520
P. Rüßmann, et al. (2022). JuDFTteam/JuKKR: v3.6 (v3.6). Zenodo. doi:10.5281/zenodo.7284738

Letzte Änderung: 25.01.2024