Integrating State of the Art Compute, Communication, and Autotuning Strategies to Multiply the Performance of the Application Programm CPMD for Ab Initio Molecular Dynamics Simulations. - Tobias Klöffel; Gerald Mathias; Bernd Meyer 013 (CoRR, 2020)

A GIS-based model for simulating the hydrological effects of land use changes on karst systems - The integration of the LuKARS model into FREEWAT. - Daniel Bittner; Ayla Rychlik; Tobias Klöffel; Anna Leuteritz; Markus Disse; Gabriele Chiogna (Environ. Model. Softw., 2020)

Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers. - Tobias Klöffel; Gerald Mathias; Bernd Meyer 013 (Comput. Phys. Commun., 2021)

Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals. - Sagarmoy Mandal; Ritama Kar; Tobias Klöffel; Bernd Meyer 013; Nisanth N. Nair (J. Comput. Chem., 2022)