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Journal of Chemical Theory and Computation|December 3, 2015
Multiscale Modeling of Poly(ethylene oxide)-Poly(propylene oxide)-Poly(ethylene oxide) Triblock Copolymer Micelles in Aqueous SolutionDmitry Bedrov, Chakravarthy Ayyagari, Grant D SmithThe Journal of Chemical Physics|August 31, 2004
A molecular dynamics simulation study of the alpha-relaxation in a 1,4-polybutadiene melt as probed by the coherent dynamic structure factorGrant D Smith, Dmitry Bedrov, Wolfgang PaulThe Journal of Physical Chemistry. B|September 18, 2012
Li+ solvation and transport properties in ionic liquid/lithium salt mixtures: a molecular dynamics simulation studyZhe Li, Grant D Smith, Dmitry BedrovPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|August 25, 2004
Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: a molecular dynamics simulation studyDmitry Bedrov, Grant D Smith, Wolfgang PaulLangmuir : the ACS Journal of Surfaces and Colloids|October 25, 2007
Structure and interactions in micellar solutions: molecular simulations of pluronic L64 aqueous solutionsDmitry Bedrov, Grant D Smith, Jinyong YoonJournal of Computational Chemistry|October 9, 2002
A revised quantum chemistry-based potential for poly(ethylene oxide) and its oligomers in aqueous solutionGrant D Smith, Oleg Borodin, Dmitry BedrovPhysical Review Letters|July 15, 2003
Structural relaxation and dynamic heterogeneity in a polymer melt at attractive surfacesGrant D Smith, Dmitry Bedrov, Oleg BorodinThe Journal of Chemical Physics|January 6, 2006
Equilibrium sampling of self-associating polymer solutions: a parallel selective tempering approachChakravarthy Ayyagari, Dmitry Bedrov, Grant D SmithJournal of Chemical Theory and Computation|December 2, 2015
Molecular Dynamics Simulation Study of the Influence of Cluster Geometry on Formation of C60 Fullerene Clusters in Aqueous SolutionHojin Kim, Dmitry Bedrov, Grant D SmithThe Journal of Chemical Physics|September 21, 2013
Thermophysical properties of energetic ionic liquids/nitric acid mixtures: insights from molecular dynamics simulationsJustin B Hooper, Grant D Smith, Dmitry BedrovPageof 28