455 citations · 1.5k across the 13 of their papers we have counts for
13 papers
Adaptive Slater Koster Parameters: Crossing Oxidation States with Density Functional Tight Binding
Yihua Song, Artem Samtsevych, Anton Beiersdorfer +4
We propose to adapt the confined pseudo-atomic orbitals underpinning the precalculated Slater-Koster (SK) interaction tables in Density Functional Tight Binding (DFTB) to local ato…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Solvers for Large-Scale Electronic Structure Theory: ELPA and ELSI
Petr Karpov, Andreas Marek, Tobias Melson +14
In this contribution, we give an overview of the ELPA library and ELSI interface, which are crucial elements for large-scale electronic structure calculations in FHI-aims. ELPA is…
Three-dimensional Models of Core-collapse Supernovae From Low-mass Progenitors With Implications for Crab
G. Stockinger, H. -Th. Janka, D. Kresse +9
We present 3D full-sphere supernova simulations of non-rotating low-mass (~9 Msun) progenitors, covering the entire evolution from core collapse through bounce and shock revival, t…
Large-Scale Mixing in a Violent Oxygen-Neon Shell Merger Prior to a Core-Collapse Supernova
Naveen Yadav, Bernhard Müller, Hans Thomas Janka +2
We present a seven-minute long -3D simulation of a shell merger event in a non-rotating supernova progenitor before the onset of gravitational collapse. The k…
Resolution Study for Three-dimensional Supernova Simulations with the Prometheus-Vertex Code
Tobias Melson, Daniel Kresse, H. -Thomas Janka
We present a carefully designed, systematic study of the angular resolution dependence of simulations with the Prometheus-Vertex neutrino-hydrodynamics code. Employing a simplified…