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GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design.

, , , , , , и . J. Chem. Inf. Model., 62 (7): 1691-1711 (2022)

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Carsten Kutzner

Reinhold Kutzner

Heinrich Kutzner

Marianne Kutzner

Andrea Kutzner

 

Другие публикации лиц с тем же именем

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation, , , и . Journal of Chemical Theory and Computation, 4 (3): 435-447 (2008)A CUDA fast multipole method with highly efficient M2L far field evaluation., , , , , , и . Int. J. High Perform. Comput. Appl., (2021)GROMACS in the cloud: A global supercomputer to speed up alchemical drug design., , , , , , и . CoRR, (2022)Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS., , , , и . EASC, том 8759 из Lecture Notes in Computer Science, стр. 3-27. Springer, (2014)GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation., , , , , , , , , и 2 other автор(ы). Software for Exascale Computing, том 136 из Lecture Notes in Computational Science and Engineering, Springer, (2020)Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS., , , , и . CoRR, (2015)Extreme Scaling Workshop at the LRZ., , , , , , , , , и 9 other автор(ы). PARCO, том 25 из Advances in Parallel Computing, стр. 691-697. IOS Press, (2013)More bang for your buck: Improved use of GPU nodes for GROMACS 2018., , , , , и . J. Comput. Chem., 40 (27): 2418-2431 (2019)Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC., , , и . PARCO, том 25 из Advances in Parallel Computing, стр. 722-727. IOS Press, (2013)