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Dataflow programming for the analysis of molecular dynamics with AViS, an analysis and visualization software application., , , and . CoRR, (2019)Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models., , , , and . J. Chem. Inf. Model., 63 (1): 76-86 (2023)42 TFlops hierarchical N-body simulations on GPUs with applications in both astrophysics and turbulence., , , , , and . SC, ACM, (2009)An Efficient Random Number Generation Method for Molecular Simulation., , and . J. Chem. Inf. Model., 62 (1): 71-78 (2022)MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data., , , and . CoRR, (2022)Overheads in Accelerating Molecular Dynamics Simulations with GPUs., , , and . PDCAT, page 143-150. IEEE Computer Society, (2008)Petascale turbulence simulation using a highly parallel fast multipole method on GPUs., , , and . Comput. Phys. Commun., 184 (3): 445-455 (2013)Fast multipole methods on a cluster of GPUs for the meshless simulation of turbulence., , , , , and . Comput. Phys. Commun., 180 (11): 2066-2078 (2009)Simulations of magnetic materials with MDGRAPE-2., , , , , , , , and . IBM J. Res. Dev., 48 (2): 199-208 (2004)A stochastic Hamiltonian formulation applied to dissipative particle dynamics., , and . CoRR, (2022)