Dynamics in coarse-grained models for oligomer-grafted silica nanoparticles

Dynamics of solvent-free grafted nanoparticles

(2012) Alexandros Chremos et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulations of Silica Nanoparticles Grafted with Poly(ethylene oxide) Oligomer Chains

(2012) Bingbing Hong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of Bonding Types and Functional Groups on CO2Capture using Novel Multiphase Systems of Liquid-like Nanoparticle Organic Hybrid Materials

(2011) Kun-Yi Andrew Lin et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers

(2011) Praveen Depa et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and transport properties of polymer grafted nanoparticles

(2011) Sushmit Goyal et al.   JOURNAL OF CHEMICAL PHYSICS

Structure of solvent-free grafted nanoparticles: Molecular dynamics and density-functional theory

(2011) Alexandros Chremos et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-graining errors and numerical optimization using a relative entropy framework

(2011) Aviel Chaimovich et al.   JOURNAL OF CHEMICAL PHYSICS

Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology

(2011) J T Padding et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Interface of Grafted and Ungrafted Silica Nanoparticles with a Polystyrene Matrix: Atomistic Molecular Dynamics Simulations

(2011) Tinashe V. M. Ndoro et al.   MACROMOLECULES

Multiscale modeling of soft matter: scaling of dynamics

(2011) Dominik Fritz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principle approach to rescale the dynamics of simulated coarse-grained macromolecular liquids

(2011) I. Lyubimov et al.   PHYSICAL REVIEW E

Strain-accelerated dynamics of soft colloidal glasses

(2011) Praveen Agarwal et al.   PHYSICAL REVIEW E

Structural Transitions of Solvent-Free Oligomer-Grafted Nanoparticles

(2011) Alexandros Chremos et al.   PHYSICAL REVIEW LETTERS

Assembly of copolymer functionalized nanoparticles: a Monte Carlo simulation study

(2011) Tyler B. Martin et al.   Soft Matter

Nanoscale Organic Hybrid Electrolytes

(2010) Jennifer L. Nugent et al.   ADVANCED MATERIALS

A coarse-grained molecular dynamics model for crystalline solids

(2010) Xiantao Li   INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING

Diffusivities and Viscosities of Poly(ethylene oxide) Oligomers†

(2010) Bingbing Hong et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Many-body interactions and coarse-grained simulations of structure of nanoparticle-polymer melt mixtures

(2010) Landry Khounlavong et al.   JOURNAL OF CHEMICAL PHYSICS

Mesoscale Molecular Dynamics Simulations of the Force between Surfaces with Grafted Poly(ethylene oxide) Chains Derived from Atomistic Simulations

(2010) Rodrigo M. Cordeiro et al.   MACROMOLECULES

Shear Modulus of a Polymer Brush

(2010) Yoshihisa Fujii et al.   MACROMOLECULES

End grafted polymernanoparticles in a polymeric matrix: Effect of coverage and curvature

(2010) Joshua Kalb et al.   Soft Matter

Modeling the anisotropic self-assembly of spherical polymer-grafted nanoparticles

(2009) Victor Pryamtisyn et al.   JOURNAL OF CHEMICAL PHYSICS

A Coarse-Grained Model for Polyethylene Oxide and Polyethylene Glycol: Conformation and Hydrodynamics

(2009) Hwankyu Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

(2009) Vagelis A. Harmandaris et al.   MACROMOLECULES

Multiscale modeling of emergent materials: biological and soft matter

(2009) Teemu Murtola et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational exploration of polymer nanocomposite mechanical property modification via cross-linking topology

(2008) Naida Lacevic et al.   JOURNAL OF CHEMICAL PHYSICS

Transferability of coarse-grained force fields: The polymer case

(2008) Paola Carbone et al.   JOURNAL OF CHEMICAL PHYSICS

The relative entropy is fundamental to multiscale and inverse thermodynamic problems

(2008) M. Scott Shell   JOURNAL OF CHEMICAL PHYSICS

Modeling of Aqueous Poly(oxyethylene) Solutions. 2. Mesoscale Simulations

(2008) Jan Fischer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Filler Particle Size on the Properties of Model Nanocomposites

(2008) D. Brown et al.   MACROMOLECULES

Multiscale modeling and simulation of polymer nanocomposites

(2007) Q.H. Zeng et al.   PROGRESS IN POLYMER SCIENCE