Construction of dissipative particle dynamics models for complex fluids via the Mori-Zwanzig formulation.
暂无分享,去创建一个
[1] J. Kirkwood. The Statistical Mechanical Theory of Transport Processes I. General Theory , 1946 .
[2] C. Tanford. Macromolecules , 1994, Nature.
[4] E. Helfand. Theory of the Molecular Friction Constant , 1961 .
[5] H. Mori. Transport, Collective Motion, and Brownian Motion , 1965 .
[6] H. C. Andersen,et al. Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids , 1971 .
[7] A. Lagar’kov,et al. Molecular dynamics method in statistical physics , 1978 .
[8] J. Brey,et al. Computer studies of Brownian motion in a Lennard‐Jones fluid: The Stokes law , 1982 .
[9] S. Nosé. A unified formulation of the constant temperature molecular dynamics methods , 1984 .
[10] Faraday Discuss , 1985 .
[11] Hoover,et al. Canonical dynamics: Equilibrium phase-space distributions. , 1985, Physical review. A, General physics.
[12] G. Grest,et al. Dynamics of entangled linear polymer melts: A molecular‐dynamics simulation , 1990 .
[13] J. Koelman,et al. Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics , 1992 .
[14] James B. Adams,et al. Interatomic Potentials from First-Principles Calculations: The Force-Matching Method , 1993, cond-mat/9306054.
[15] A. Lyubartsev,et al. Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach. , 1995, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[16] P. Español,et al. Statistical Mechanics of Dissipative Particle Dynamics. , 1995 .
[17] Dissipative particle dynamics for a harmonic chain: A first-principles derivation. , 1996, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[18] P. B. Warren,et al. DISSIPATIVE PARTICLE DYNAMICS : BRIDGING THE GAP BETWEEN ATOMISTIC AND MESOSCOPIC SIMULATION , 1997 .
[19] P. Español,et al. FLUID PARTICLE MODEL , 1998 .
[20] Effective Interaction between Star Polymers , 1999, cond-mat/9904444.
[21] S. Hess,et al. Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics , 2000, Physical review letters.
[22] G. Phillies. Projection Operators and the Mori-Zwanzig Formalism , 2000 .
[23] Reinier L C Akkermans,et al. Coarse-grained dynamics of one chain in a polymer melt , 2000 .
[24] R. Zwanzig. Nonequilibrium statistical mechanics , 2001, Physics Subject Headings (PhySH).
[25] K. Binder,et al. Cooling rate dependence of the glass transition temperature of polymer melts: Molecular dynamics study , 2002 .
[26] J. Banavar,et al. Chain molecule deformation in a uniform flow—A computer experiment , 2002 .
[27] Dirk Reith,et al. Deriving effective mesoscale potentials from atomistic simulations , 2002, J. Comput. Chem..
[28] S. Hess,et al. Linear Viscoelastic Behavior of Unentangled Polymer Melts via Non‐Equilibrium Molecular Dynamics , 2004 .
[29] Gregory A Voth,et al. A multiscale coarse-graining method for biomolecular systems. , 2005, The journal of physical chemistry. B.
[30] H. Hoefsloot,et al. Poiseuille flow to measure the viscosity of particle model fluids. , 2005, The Journal of chemical physics.
[31] Gregory A Voth,et al. Modeling real dynamics in the coarse-grained representation of condensed phase systems. , 2006, The Journal of chemical physics.
[32] Teng Yong Ng,et al. Simulating flow of DNA suspension using dissipative particle dynamics , 2006 .
[33] Matej Praprotnik,et al. Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat. , 2007, Soft matter.
[34] Shi-aki Hyodo,et al. Equation of motion for coarse-grained simulation based on microscopic description. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.
[35] Direct Molecular Dynamics Simulation of Branch Point Motion in Asymmetric Star Polymer Melts , 2007 .
[36] M Scott Shell,et al. The relative entropy is fundamental to multiscale and inverse thermodynamic problems. , 2008, The Journal of chemical physics.
[37] Gregory A Voth,et al. Effective force coarse-graining. , 2009, Physical chemistry chemical physics : PCCP.
[38] George Em Karniadakis,et al. Rheology, microstructure and migration in brownian colloidal suspensions. , 2010, Langmuir : the ACS journal of surfaces and colloids.
[39] E. Vanden-Eijnden,et al. Mori-Zwanzig formalism as a practical computational tool. , 2010, Faraday discussions.
[40] George Em Karniadakis,et al. Direct construction of mesoscopic models from microscopic simulations. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.
[41] Zhenlong Li,et al. Equilibrium chain exchange kinetics in block copolymer micelle solutions by dissipative particle dynamics simulations , 2011 .
[42] Pep Español,et al. Obtaining fully dynamic coarse-grained models from MD. , 2011, Physical chemistry chemical physics : PCCP.
[43] M. Guenza,et al. Thermodynamic consistency in variable-level coarse graining of polymeric liquids. , 2012, Physical review letters.
[44] Joseph F Rudzinski,et al. The role of many-body correlations in determining potentials for coarse-grained models of equilibrium structure. , 2012, The journal of physical chemistry. B.
[45] Petr Plechác,et al. Information-theoretic tools for parametrized coarse-graining of non-equilibrium extended systems , 2013, The Journal of chemical physics.
[46] W G Noid,et al. Perspective: Coarse-grained models for biomolecular systems. , 2013, The Journal of chemical physics.
[47] Petia M. Vlahovska,et al. Continuum- and particle-based modeling of shapes and dynamics of red blood cells in health and disease. , 2013, Soft matter.
[48] E. Vivaldo‐Lima,et al. Handbook of Polymer Synthesis, Characterization, and Processing , 2013 .
[49] Pritam Ganguly,et al. Systematic coarse-graining methods for soft matter simulations - a review , 2013 .
[50] Zhen Li,et al. Three dimensional flow structures in a moving droplet on substrate: A dissipative particle dynamics study , 2013 .
[51] W. Mao,et al. Mesoscale modeling: solving complex flows in biology and biotechnology. , 2013, Trends in biotechnology.
[52] E. Vivaldo‐Lima,et al. Handbook of Polymer Synthesis, Characterization, and Processing: Saldívar-Guerra/Handbook of Polymer Synthesis, Characterization, and Processing , 2013 .
[53] Shu Takagi,et al. Bottom-up construction of interaction models of non-Markovian dissipative particle dynamics. , 2013, Physical review. E, Statistical, nonlinear, and soft matter physics.
[54] Marissa G. Saunders,et al. Coarse-graining methods for computational biology. , 2013, Annual review of biophysics.
[55] M. Couty,et al. Conservative and dissipative force field for simulation of coarse-grained alkane molecules: a bottom-up approach. , 2014, The Journal of chemical physics.