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Deriving effective mesoscale potentials from atomistic simulations., , and . Journal of Computational Chemistry, 24 (13): 1624-1636 (2003)Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations., , and . Journal of Computational Chemistry, 18 (12): 1484-1495 (1997)IBIsCO: A molecular dynamics simulation package for coarse-grained simulation., , , , and . Journal of Computational Chemistry, 32 (7): 1475-1487 (2011)Parallelizing a Molecular Dynamics Algorithm on a Multiprocessor Workstation Using OpenMP., and . Journal of Chemical Information and Modeling, 45 (6): 1943-1952 (2005)A kinetic chain growth algorithm in coarse-grained simulations., , , and . Journal of Computational Chemistry, 37 (30): 2634-2646 (2016)Molecular dynamics simulation in the grand canonical ensemble., and . Journal of Computational Chemistry, 28 (10): 1763-1773 (2007)Achieving Super Computer Performance with a DSP Array Processor., , , , , , , , and . SC, page 543-550. IEEE Computer Society, (1992)Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics - Crystal orbital analysis., , , , and . Journal of Computational Chemistry, 32 (1): 121-133 (2011)Automatic parameterization of force fields for liquids by simplex optimization., , , and . Journal of Computational Chemistry, 20 (10): 1009-1017 (1999)Adaptive-numerical-bias metadynamics., , and . Journal of Computational Chemistry, 38 (31): 2721-2729 (2017)