Linear-scaling Cholesky decomposition. - Sabine Schweizer; Jörg Kussmann; Bernd Doser; Christian Ochsenfeld (J. Comput. Chem., 2008)

Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction. - Bernd Doser; Marcus A. Neumann (J. Cheminformatics, 2012)

Parallelized rotation and flipping INvariant Kohonen maps (PINK) on GPUs. - Kai Lars Polsterer; Fabian Gieseke; Christian Igel; Bernd Doser; Nikolaos Gianniotis (ESANN, 2016)

Spherinator and HiPSter: Representation Learning for Unbiased Knowledge Discovery from Simulations. - Kai Lars Polsterer; Bernd Doser; Andreas Fehlner; Sebastian Trujillo-Gomez (CoRR, 2024)