Structure and dynamics of poly(methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations

Properties of short polystyrene chains confined between two gold surfaces through a combined density functional theory and classical molecular dynamics approach

(2012) Karen Johnston et al.   Soft Matter

Strain Mapping in a Graphene Monolayer Nanocomposite

(2011) Robert J. Young et al.   ACS Nano

Structural properties of atactic polystyrene adsorbed onto solid surfaces

(2011) Yergou B. Tatek et al.   JOURNAL OF CHEMICAL PHYSICS

On the Cartesian definition of orientational order parameters

(2011) Stefano S. Turzi   JOURNAL OF MATHEMATICAL PHYSICS

Properties of Benzene Confined between Two Au(111) Surfaces Using a Combined Density Functional Theory and Classical Molecular Dynamics Approach

(2011) Karen Johnston et al.   Journal of Physical Chemistry C

Crystallinity and Chain Conformation in PEO/Layered Silicate Nanocomposites

(2011) K. Chrissopoulou et al.   MACROMOLECULES

Crystallization of alkane melts induced by carbon nanotubes and graphene nanosheets: a molecular dynamics simulation study

(2011) Jun-Sheng Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermal Expansion of Supported and Freestanding Graphene: Lattice Constant versus Interatomic Distance

(2011) Monica Pozzo et al.   PHYSICAL REVIEW LETTERS

Compression Behavior of Single-Layer Graphenes

(2010) Otakar Frank et al.   ACS Nano

Structure and dynamics of polymer chains in hydrophilic nanocomposites

(2010) S. Fotiadou et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Quantitative Analysis on the Validity of a Coarse-Grained Model for Nonequilibrium Polymeric Liquids under Flow

(2010) Chunggi Baig et al.   MACROMOLECULES

Graphene/Polymer Nanocomposites

(2010) Hyunwoo Kim et al.   MACROMOLECULES

Graphene: The New Two-Dimensional Nanomaterial

(2009) C. N. R. Rao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The chemistry of graphene oxide

(2009) Daniel R. Dreyer et al.   CHEMICAL SOCIETY REVIEWS

Graphene, the new nanocarbon

(2009) C. N. R. Rao et al.   JOURNAL OF MATERIALS CHEMISTRY

Covalent polymer functionalization of graphene nanosheets and mechanical properties of composites

(2009) Ming Fang et al.   JOURNAL OF MATERIALS CHEMISTRY

Monte Carlo studies of tethered chains

(2009) Emmanuel Karaiskos et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

A Monte Carlo study of the coil-to-globule transition of model polymer chains near an attractive surface

(2009) Anastassia N. Rissanou et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

(2009) Vagelis A. Harmandaris et al.   MACROMOLECULES

Nano-indentation studies on polymer matrix composites reinforced by few-layer graphene

(2009) Barun Das et al.   NANOTECHNOLOGY

Chemical methods for the production of graphenes

(2009) Sungjin Park et al.   Nature Nanotechnology

Carbon nanotube–polymer composites: Chemistry, processing, mechanical and electrical properties

(2009) Zdenko Spitalsky et al.   PROGRESS IN POLYMER SCIENCE

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS

Subjecting a Graphene Monolayer to Tension and Compression

(2009) Georgia Tsoukleri et al.   Small

Predicting polymer dynamics at multiple length and time scales

(2009) Vagelis A. Harmandaris et al.   Soft Matter

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Modeling of graphene–polymer interfacial mechanical behavior using molecular dynamics

(2008) Amnaya P Awasthi et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Functionalized graphene sheets for polymer nanocomposites

(2008) T. Ramanathan et al.   Nature Nanotechnology

Adsorption and self-assembly of linear polymers on surfaces: a computer simulation study

(2008) Alexandros Chremos et al.   Soft Matter