Hierarchical multi-scale simulations of adhesion at polymer–metal interfaces: dry and wet conditions

Multi-scale simulations for predicting material properties of a cross-linked polymer

(2015) Gokhan Kacar et al.   COMPUTATIONAL MATERIALS SCIENCE

A simulation approach to study photo-degradation processes of polymeric coatings

(2014) Hesam Makki et al.   POLYMER DEGRADATION AND STABILITY

A generalized method for parameterization of dissipative particle dynamics for variable bead volumes

(2013) G. Kacar et al.   EPL

Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models

(2013) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

Structure of a Thermoset Polymer near an Alumina Substrate as Studied by Dissipative Particle Dynamics

(2013) Gokhan Kacar et al.   Journal of Physical Chemistry C

Theoretical approach to the structural, electronic, and morphological properties of poly(ɛ-caprolactone) grafted polypyrroles

(2013) Erol Yildirim et al.   MACROMOLECULAR RESEARCH

Harnessing Interfacially-Active Nanorods to Regenerate Severed Polymer Gels

(2013) Xin Yong et al.   NANO LETTERS

Extreme wet adhesion of a novel epoxy-amine coating on aluminum alloy 2024-T3

(2013) N.N.A.H. Meis et al.   PROGRESS IN ORGANIC COATINGS

Mesoscopic simulations for the molecular and network structure of a thermoset polymer

(2013) Gokhan Kacar et al.   Soft Matter

Simulation of mechanical properties of epoxy-based chemically amplified resist by coarse-grained molecular dynamics

(2012) Hiromasa Yagyu et al.   POLYMER

Assembly of nano-particles on diblock copolymer brushes: toward laterally nano-structured composites

(2012) Olga A. Guskova et al.   Soft Matter

Modeling the Self-Assembly of Lipids and Nanotubes in Solution: Forming Vesicles and Bicelles with Transmembrane Nanotube Channels

(2011) Meenakshi Dutt et al.   ACS Nano

Interphase Formation during Curing: Reactive Coarse Grained Molecular Dynamics Simulations

(2011) Karim Farah et al.   Journal of Physical Chemistry C

Molecular Understanding of the Adhesive Force between a Metal Oxide Surface and an Epoxy Resin

(2011) Takayuki Semoto et al.   Journal of Physical Chemistry C

Microphase Separation of Phenylene Oligomers with Polymeric Side Chains: A Dissipative Particle Dynamics Study

(2011) Erol Yıldırım et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Multiscale Simulation Study on the Curing Reaction and the Network Structure in a Typical Epoxy System

(2011) Hong Liu et al.   MACROMOLECULES

Surfactant formation efficiency of fluorocarbon-hydrocarbon oligomers in supercritical CO2

(2009) Hatice Can et al.   JOURNAL OF CHEMICAL PHYSICS

Mapping and Reverse-Mapping of the Morphologies for a Molecular Understanding of the Self-Assembly of Fluorinated Block Copolymers

(2009) Gokhan Kacar et al.   Journal of Physical Chemistry C

Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back

(2009) Christine Peter et al.   Soft Matter

Statics and dynamics of a cylindrical droplet under an external body force

(2008) J. Servantie et al.   JOURNAL OF CHEMICAL PHYSICS