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Publications by Szilard Pall

Refereegranskade

Artiklar

[1]
S. Pall et al., "Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS," Journal of Chemical Physics, vol. 153, no. 13, 2020.
[2]
C. Kutzner et al., "More bang for your buck : Improved use of GPU nodes for GROMACS 2018," Journal of Computational Chemistry, vol. 40, no. 27, pp. 2418-2431, 2019.
[3]
C. Kutzner et al., "Best bang for your buck : GPU nodes for GROMACS biomolecular simulations," Journal of Computational Chemistry, vol. 36, no. 26, pp. 1990-2008, 2015.
[4]
C. L. Wennberg et al., "Direct-Space Corrections Enable Fast and Accurate Lorentz-Berthelot Combination Rule Lennard-Jones Lattice Summation," Journal of Chemical Theory and Computation, vol. 11, no. 12, pp. 5737-5746, 2015.
[6]
S. Páll and B. Hess, "A flexible algorithm for calculating pair interactions on SIMD architectures," Computer Physics Communications, vol. 184, no. 12, pp. 2641-2650, 2013.
[7]
S. Pronk et al., "GROMACS 4.5 : a high-throughput and highly parallel open source molecular simulation toolkit," Bioinformatics, vol. 29, no. 7, pp. 845-854, 2013.

Konferensbidrag

[8]
S. Pall and R. Schultz, "Advances in the OpenCL offload support in GROMACS," in Proceedings of the international workshop on OPENCL (IWOCL'19), 2019.
[9]
B. Hess et al., "Highly Tuned Small Matrix Multiplications Applied to Spectral Element Code Nek5000," in The Third International Workshop on Sustainable Ultrascale Computing Systems, 2016, pp. 69-72.
[10]
S. Páll et al., "Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS," in Solving software challenges for exascale, 2015, pp. 3-27.
[11]
S. Páll, B. Hess and E. Lindahl, "Poster - 3D Tixels : A highly efficient algorithm for GPU/CPU-acceleration of molecular dynamics on heterogeneous parallel architectures," in SC - Proc. High Perform. Comput. Networking, Storage Anal. Companion, Co-located SC, 2011, pp. 71-72.
Senaste synkning med DiVA:
2021-12-03 05:33:00