Andrey Alekseenko, Szilárd Páll, Erik Lindahl
Hyun Park, Parth Patel, Roland Haas, E. A. Huerta
Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh V. Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, Oscar Hernandez, Jeremy C. Smith, Ada Sedova
Tags: Biology, Biomolecules, Computational biology, CUDA, molecular docking, nVidia, nVidia DGX-2, nVidia GeForce RTX 2080 Ti, OpenCL, supercomputer, Tesla V100
Ruxi Qi, Wesley M. Botello-Smith, Ray Luo
Tags: Biomolecules, Biophysics, Boltzmann equation, Computational Physics, CUBLAS, CUDA, Electrostatics, Molecular simulation, nVidia, nVidia GeForce GTX 980 Ti, Physics, Poisson Boltzmann
Pilar Cossio, David Rohr, Fabio Baruffa, Markus Rampp, Volker Lindenstruth, Gerhard Hummer
Tags: Bayesian, Biology, Biomolecules, CUDA, Electron microscopy, Heterogeneous systems, Medicine, Microscopy, MPI, nVidia, nVidia GeForce GTX Titan, OpenMP, Package, Tesla K20, Tomography
Mark James Abraham, Teemu Murtola, Roland Schulz, Szilard Pall, Jeremy C. Smith, Berk Hess, Erik Lindahl
Tags: Algorithms, Biomolecules, Chemistry, CUDA, Heterogeneous systems, Molecular simulation, nVidia, nVidia GeForce GTX 980, OpenCL, Package, Tesla K40
Carsten Kutzner, Szilard Pall, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmuller
Tags: Benchmarking, Biological Physics, Biomolecules, Computational Physics, Computer science, Molecular dynamics, Molecular simulation, MPI, nVidia, Package, Performance, Tesla K20, Tesla K40
Pall Szilard, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl
Tags: Algorithms, Biomolecules, Computer science, CUDA, Heterogeneous systems, Molecular dynamics, Molecular simulation, MPI, nVidia, Tesla C2070, Tesla K20
Fang Liu, Nathan Luehr, Heather J. Kulik, Todd J. Martinez
