Modeling the free-radical polymerization of hexanediol diacrylate (HDDA): a molecular dynamics and graph theory approach

Superhydrophobic Microporous Substrates via Photocuring: Coupling Optical Pattern Formation to Phase Separation for Process-Tunable Pore Architectures

(2018) Saeid Biria et al.   ACS Applied Materials & Interfaces

Photocuring of di-acrylate

(2018) P.D. Iedema et al.   CHEMICAL ENGINEERING SCIENCE

Acrylate Network Formation by Free-Radical Polymerization Modeled Using Random Graphs

(2017) Verena Schamboeck et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Quantifying the sensitivity of the network structure and properties from simultaneous measurements during photopolymerization

(2017) Swarnavo Sarkar et al.   Soft Matter

A robust and reproducible procedure for cross-linking thermoset polymers using molecular simulation

(2016) Baris Demir et al.   Soft Matter

Comparison of Crosslinking Algorithms in Molecular Dynamics Simulation of Thermosetting Polymers

(2015) Changwoon Jang et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Reactive force fields made simple

(2015) Bernd Hartke et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Material property prediction of thermoset polymers by molecular dynamics simulations

(2014) Chunyu Li et al.   ACTA MECHANICA

Molecular scale simulations on thermoset polymers: A review

(2014) Chunyu Li et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Effect of Carbon Nanotube Dispersion on Glass Transition in Cross-Linked Epoxy–Carbon Nanotube Nanocomposites: Role of Interfacial Interactions

(2013) Ketan S. Khare et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Classical Reactive Molecular Dynamics Implementations: State of the Art

(2012) Karim Farah et al.   CHEMPHYSCHEM

Photopolymerization kinetics and volume shrinkage of 1,6-hexanediol diacrylate at different temperature

(2012) Lili Ji et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Directed Diffusion Approach for Preparing Atomistic Models of Crosslinked Epoxy for Use in Molecular Simulations

(2012) Ketan S. Khare et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Relative Reactivity Volume Criterion for Cross-Linking: Application to Vinyl Ester Resin Molecular Dynamics Simulations

(2012) Changwoon Jang et al.   MACROMOLECULES

Thermomechanical and fractographic behavior of poly (HDDA-co-MMA): a study for its application in microcantilever sensors

(2012) Ankur Goswami et al.   POLYMERS FOR ADVANCED TECHNOLOGIES

Degradation kinetics of poly(HDDA-co-MMA)

(2010) Ankur Goswami et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Reactive Molecular Dynamics with Material-Specific Coarse-Grained Potentials: Growth of Polystyrene Chains from Styrene Monomers

(2010) Karim Farah et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular simulations of crosslinking process of thermosetting polymers

(2010) Chunyu Li et al.   POLYMER

TraPPE-UA Force Field for Acrylates and Monte Carlo Simulations for Their Mixtures with Alkanes and Alcohols

(2009) Katie A. Maerzke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Simulation of Cross-Linked Epoxy and Epoxy−POSS Nanocomposite

(2009) Po-Han Lin et al.   MACROMOLECULES

Preparation and Evaluation of Dental Resin Luting Agents with Increasing Content of Bisphenol-A Ethoxylated Dimethacrylate

(2008) Rafael R. Moraes et al.   JOURNAL OF BIOMATERIALS APPLICATIONS

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Molecular Dynamics Study of Epoxy-Based Networks: Cross-Linking Procedure and Prediction of Molecular and Material Properties

(2008) Vikas Varshney et al.   MACROMOLECULES