Szilárd Páll
KTH Royal Institute of Technology(SE)
Publications by Year
Research Areas
Parallel Computing and Optimization Techniques, Advanced Data Storage Technologies, Distributed and Parallel Computing Systems, Protein Structure and Dynamics, Matrix Theory and Algorithms
Most-Cited Works
- → GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers(2015)25,545 cited
- → GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit(2013)7,467 cited
- → Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS(2015)1,209 cited
- → A flexible algorithm for calculating pair interactions on SIMD architectures(2013)727 cited
- → More bang for your buck: Improved use of GPU nodes for GROMACS 2018(2019)404 cited
- → Best bang for your buck: GPU nodes for GROMACS biomolecular simulations(2015)254 cited
- → Direct-Space Corrections Enable Fast and Accurate Lorentz–Berthelot Combination Rule Lennard-Jones Lattice Summation(2015)185 cited
- → Exploring the Ultimate Regime of Turbulent Rayleigh–Bénard Convection Through Unprecedented Spectral-Element Simulations(2023)11 cited
- → GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability(2024)7 cited
- → Experiences With Adding SYCL Support to GROMACS(2021)5 cited