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Systematic coarse-graining methods for soft matter simulations – a review
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MOLC. A reversible coarse grained approach using anisotropic beads for the modelling of organic functional materials
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Microscopic derivation of particle-based coarse-grained dynamics: Exact expression for memory function
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Perspective: Dissipative particle dynamics
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April 2017 |
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Transport, Collective Motion, and Brownian Motion
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Dissipative particle dynamics for a harmonic chain: A first-principles derivation
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Force-Field Parameters from the SAFT-γ Equation of State for Use in Coarse-Grained Molecular Simulations
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June 2014 |
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Investigation of oil-in-water emulsion stability with relevant interfacial characteristics simulated by dissipative particle dynamics
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June 2018 |
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Electrostatic Damping Functions and the Penetration Energy
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June 2011 |
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Anisotropic single-particle dissipative particle dynamics model
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May 2017 |
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Effective force coarse-graining
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Dissipative Particle Dynamics Simulation: A Review on Investigating Mesoscale Properties of Polymer Systems
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March 2021 |
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Molecular Dynamics of Fluids: The Gaussian Overlap Model II
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Traceless cartesian tensor forms for spherical harmonic functions: new theorems and applications to electrostatics of dielectric media
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A Multiscale Coarse-Graining Method for Biomolecular Systems
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Rheology, Microstructure and Migration in Brownian Colloidal Suspensions
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Optimal prediction with memory
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Deriving effective mesoscale potentials from atomistic simulations: Mesoscale Potentials from Atomistic Simulations
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Computational Modeling of Realistic Cell Membranes
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January 2019 |
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Accounting for π–π stacking interactions in the mesoscopic models of conjugated polymers
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January 2020 |
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Backbone oriented anisotropic coarse grains for efficient simulations of polymers
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December 2020 |
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Martini 3 Coarse‐Grained Force Field: Small Molecules
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December 2021 |
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Multiscale coarse graining of liquid-state systems
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Tenfold increase in the photostability of an azobenzene guest in vapor-deposited glass mixtures
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November 2018 |
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Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics
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Over What Length Scale Does an Inorganic Substrate Perturb the Structure of a Glassy Organic Semiconductor?
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Coarse-Graining Organic Semiconductors: The Path to Multiscale Design
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December 2020 |
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Advances in coarse-grained modeling of macromolecular complexes
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October 2018 |
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Construction of dissipative particle dynamics models for complex fluids via the Mori–Zwanzig formulation
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Anisotropic Coarse-Grained Model for Proteins Based On Gay–Berne and Electric Multipole Potentials
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January 2014 |
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Bottom-up construction of interaction models of non-Markovian dissipative particle dynamics
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October 2013 |
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Dissipative particle dynamics simulations of centrifugal melt electrospinning
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April 2019 |
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Development of new coarse-grained models for chromonic liquid crystals: insights fromtop-downapproaches
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June 2017 |
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Nonequilibrium Statistical Mechanics
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Tough, Transparent, 3D‐Printable, and Self‐Healing Poly(ethylene glycol)‐Gel (PEGgel)
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Coarse-grained dynamics of one chain in a polymer melt
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Statistical Mechanics of Dissipative Particle Dynamics
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Modeling real dynamics in the coarse-grained representation of condensed phase systems
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Direct construction of mesoscopic models from microscopic simulations
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Extension and generalization of the Gay-Berne potential
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Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism
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December 2015 |
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Assessment of an anisotropic coarse-grained model for cis-1,4-polybutadiene: a bottom-up approach
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January 2021 |
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Martini 3: a general purpose force field for coarse-grained molecular dynamics
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March 2021 |
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Mori–Zwanzig formalism as a practical computational tool
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January 2010 |
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Recent Progress towards Chemically-Specific Coarse-Grained Simulation Models with Consistent Dynamical Properties
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August 2019 |
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Gaussian Model Potentials for Molecular Interactions
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Computer simulation of anisotropic molecular fluids
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Bottom-up approach to represent dynamic properties in coarse-grained molecular simulations
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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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February 2022 |
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Dissipative Particle Dynamics Aided Design of Drug Delivery Systems: A Review
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April 2020 |
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Toward Transferable Coarse‐Grained Potentials for Poly‐Aromatic Hydrocarbons: A Force Matching Approach
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October 2018 |