Carsten Kutzner

17 papers Journal 12Unranked 4

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster. J. Comput. Chem. Carsten Kutzner, Vedran Miletic, Karen Palacio Rodríguez, Markus Rampp, Gerhard Hummer, Bert L. de Groot, Helmut Grubmüller
2024	J	`jnl`	Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications. CoRR Eliane Briand, Bartosz Kohnke, Carsten Kutzner, Helmut Grubmüller
2024	J	`jnl`	Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation. CoRR Bartosz Kohnke, Eliane Briand, Carsten Kutzner, Helmut Grubmüller
2022	J	`jnl`	GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design. J. Chem. Inf. Model. Carsten Kutzner, Christian Kniep, Austin Cherian, Ludvig Nordstrom, Helmut Grubmüller, Bert L. de Groot, Vytautas Gapsys
2022	J	`jnl`	GROMACS in the cloud: A global supercomputer to speed up alchemical drug design. CoRR Carsten Kutzner, Christian Kniep, Austin Cherian, Ludvig Nordstrom, Helmut Grubmüller, Bert L. de Groot, Vytautas Gapsys
2021	J	`jnl`	A CUDA fast multipole method with highly efficient M2L far field evaluation. Int. J. High Perform. Comput. Appl. Bartosz Kohnke, Carsten Kutzner, Andreas Beckmann, Gert Lube, Ivo Kabadshow, Holger Dachsel, Helmut Grubmüller
2020	—	`ch.`	GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation. Software for Exascale Computing 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
2019	J	`jnl`	More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018. CoRR Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2019	J	`jnl`	More bang for your buck: Improved use of GPU nodes for GROMACS 2018. J. Comput. Chem. Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2015	J	`jnl`	Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. CoRR Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2015	J	`jnl`	Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. J. Comput. Chem. Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2015	J	`jnl`	Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. CoRR Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl
2014	—	`conf`	Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. EASC Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl
2013	—	`conf`	Extreme Scaling Workshop at the LRZ. PARCO Momme Allalen, Gurvan Bazin, Christoph Bernau, Arndt Bode, David Brayford, Matthias Brehm, Jürg Diemand, Klaus Dolag, Jan Engels, Nicolay Hammer, Herbert Huber, Ferdinand Jamitzky, Anupam Karmakar, Carsten Kutzner, Andreas Marek, Carmen B. Navarrete, Helmut Satzger, Wolfram Schmidt, Philipp Trisjono
2013	—	`conf`	Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC. PARCO Carsten Kutzner, Rossen Apostolov, Berk Hess, Helmut Grubmüller
2007	J	`jnl`	Speeding up parallel GROMACS on high-latency networks. J. Comput. Chem. Carsten Kutzner, David van der Spoel, Martin Fechner, Erik Lindahl, Udo W. Schmitt, Bert L. de Groot, Helmut Grubmüller
2006	—	`conf`	Improved GROMACS Scaling on Ethernet Switched Clusters. PVM/MPI Carsten Kutzner, David van der Spoel, Martin Fechner, Erik Lindahl, Udo W. Schmitt, Bert L. de Groot, Helmut Grubmüller