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Carsten Kutzner
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2020 – today
- 2022
- [j5]Carsten Kutzner, Christian Kniep, Austin Cherian, Ludvig Nordstrom, Helmut Grubmüller
, Bert L. de Groot
, Vytautas Gapsys
:
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design. J. Chem. Inf. Model. 62(7): 1691-1711 (2022) - [i4]Carsten Kutzner, Christian Kniep, Austin Cherian, Ludvig Nordstrom, Helmut Grubmüller, Bert L. de Groot, Vytautas Gapsys:
GROMACS in the cloud: A global supercomputer to speed up alchemical drug design. CoRR abs/2201.06372 (2022) - 2021
- [j4]Bartosz Kohnke
, Carsten Kutzner
, Andreas Beckmann, Gert Lube, Ivo Kabadshow, Holger Dachsel, Helmut Grubmüller:
A CUDA fast multipole method with highly efficient M2L far field evaluation. Int. J. High Perform. Comput. Appl. 35(1) (2021) - 2020
- [p1]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:
GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation. Software for Exascale Computing 2020: 517-543
2010 – 2019
- 2019
- [j3]Carsten Kutzner
, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
More bang for your buck: Improved use of GPU nodes for GROMACS 2018. J. Comput. Chem. 40(27): 2418-2431 (2019) - [i3]Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018. CoRR abs/1903.05918 (2019) - 2015
- [j2]Carsten Kutzner, Szilárd Páll
, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. J. Comput. Chem. 36(26): 1990-2008 (2015) - [i2]Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl:
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. CoRR abs/1506.00716 (2015) - [i1]Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller:
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. CoRR abs/1507.00898 (2015) - 2014
- [c4]Szilárd Páll
, Mark James Abraham
, Carsten Kutzner, Berk Hess
, Erik Lindahl:
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. EASC 2014: 3-27 - 2013
- [c3]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:
Extreme Scaling Workshop at the LRZ. PARCO 2013: 691-697 - [c2]Carsten Kutzner, Rossen Apostolov, Berk Hess
, Helmut Grubmüller:
Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC. PARCO 2013: 722-727
2000 – 2009
- 2007
- [j1]Carsten Kutzner, David van der Spoel
, Martin Fechner, Erik Lindahl
, Udo W. Schmitt, Bert L. de Groot, Helmut Grubmüller:
Speeding up parallel GROMACS on high-latency networks. J. Comput. Chem. 28(12): 2075-2084 (2007) - 2006
- [c1]Carsten Kutzner, David van der Spoel
, Martin Fechner, Erik Lindahl, Udo W. Schmitt, Bert L. de Groot, Helmut Grubmüller:
Improved GROMACS Scaling on Ethernet Switched Clusters. PVM/MPI 2006: 404-405
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