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MM: Fachverband Metall- und Materialphysik

MM 31: Transport in Materials: Diffusion, Charge, or Heat Conduction II

MM 31.3: Vortrag

Donnerstag, 12. März 2026, 10:45–11:00, SCH/A216

Phunky.jl - A Multithreaded Phonon Spectral Function Calculator In Julia — •William L. Wenig and Nakib H. Protik — Humboldt-Universität zu Berlin, Berlin, Germany

The ability to compute the phonon properties of materials is crucial for the understanding of physical phenomena such as transport and spectroscopy. At present, several code packages exist that allow ab initio access to phonon computations. These codes are mostly written in traditional languages such as Python, Fortran, or C++. In this talk we present Phunky.jl, a new tool for computing the harmonic and anharmonic phonon properties of materials. The tool is written in Julia, a language that has been designed specifically for scientific computation. It allows researchers to write software at a high level of abstraction, while generating code that runs at speeds faster or comparable to that of more traditional languages in this domain. Phunky.jl is written in an extensible manner so that one can easily expand and interface it with phonon transport solvers. We will highlight the capabilities of Phunky.jl by calculating the phonon spectral quantities for a selection of materials.

Keywords: phonons; anharmonicity; julia