GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation. - Bartosz Kohnke; Thomas R. Ullmann; Andreas Beckmann; Ivo Kabadshow; David Haensel; Laura Morgenstern; Plamen Dobrev; Gerrit Groenhof; Carsten Kutzner; Berk Hess; Holger Dachsel; Helmut Grubmüller (Software for Exascale Computing, 2020)

A CUDA fast multipole method with highly efficient M2L far field evaluation. - Bartosz Kohnke; Carsten Kutzner; Andreas Beckmann; Gert Lube; Ivo Kabadshow; Holger Dachsel; Helmut Grubmüller (Int. J. High Perform. Comput. Appl., 2021)

Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications. - Eliane Briand; Bartosz Kohnke; Carsten Kutzner; Helmut Grubmüller (CoRR, 2024)

Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation. - Bartosz Kohnke; Eliane Briand; Carsten Kutzner; Helmut Grubmüller (CoRR, 2024)