Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method - researchr publication

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Masaaki Kawata, Masuhiro Mikami. Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method. Journal of Computational Chemistry, 21(3):201-217, 2000. [doi]

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