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Philipp RüßmannView profile

Researcher

• Ab Initio Electronic Structure Theory
• Method Development
• Quantum Materials
• +18 more

Dr. Philipp Rüßmann is a visiting postdoc from JMU Würzburg , currently affiliated with the Quantum Theory of Materials (PGI-1) at the Peter Grünberg Institute (PGI) within the Jülich Research Centre . He is a theoretical physicist specializing in quantum mechanical simulation methods, leading the Korringa-Kohn-Rostoker Green Function group at PGI-1/IAS-1. His work focuses on the development and maintenance of the open-source JuKKR code family, integrated with the high-throughput AiiDA computing environment via the AiiDA-KKR plugin . Affiliation: Jülich Research Centre, Peter Grünberg Institute (PGI-1) Research Expertise: Ab Initio Electronic Structure Theory, Method Development, and Quantum Materials His research spans: Ab Initio Electronic Structure Theory: Density Functional Theory (DFT), Korringa-Kohn-Rostoker Green Function methods, multiple scattering theory, and Bogoliubov de Gennes techniques for superconductivity. Method Development: High-throughput and high-performance computing, parallelization, performance optimization on supercomputers, open-source software, materials informatics, and machine learning applications. Quantum Materials: Topological insulators, Weyl and Dirac semimetals, quantum anomalous Hall insulators, magnetic interactions, surface/interface physics, defect/impurity studies, spintronics, spinorbitronics, and superconducting heterostructures for topological qubits. The JuKKR code package and its AiiDA integration aim to advance autonomous quantum simulations for materials science. No scientific awards, student advisement, or grant information is explicitly mentioned in the provided text.

Steven AchillesView profile

Researcher

• Condensed Matter Physics
• Quantum Mechanics
• Nanotechnology
• +3 more

Dr. Steven Achilles is a researcher affiliated with the Institute of Physics at Martin Luther University Halle-Wittenberg, working within the Faculty of Natural Sciences II (Chemistry, Physics, and Mathematics). His research focuses on theoretical physics, particularly electronic structures and transport properties in mesoscopic systems and magnetic nanocontacts. Doctoral Thesis: Developed a self-consistent method combining non-equilibrium Green functions (Keldysh formalism) with the Korringa-Kohn-Rostoker (KKR) multiple scattering approach to model planar tunnel junctions, nanocontacts, and scanning-tunneling-like geometries under bias voltage. This technique avoids supercell artifacts and improves conductance/current calculations. Diploma Thesis: Conducted ab initio studies of electronic transport in cobalt (Co) and nickel (Ni) magnetic nanocontacts using density functional theory and the Landauer approach (Baranger-Stone formulation). Investigated ballistic magnetoresistance ratios (BMR) in Co atomic chains and symmetry-breaking effects in Ni nanocontacts, achieving good agreement with experimental data. Research Methodology: specializes in computational modeling of nanoscale systems, leveraging advanced quantum mechanical frameworks like DFT, Keldysh formalism, and KKR multiple scattering methods to analyze charge relaxation, potential landscape changes, and transport phenomena in non-translationally invariant systems.