How Much Can We Coarse-Grain while Retaining the Chemical Specificity? A Study of Sulfonated Poly(ether ether ketone)

Synthesis of pH- and thermo-responsive poly (ε-caprolactone-b-4-vinyl benzyl-g-dimethyl amino ethyl methacrylate) brush type graft copolymers via RAFT polymerization

(2015) Timur Şanal et al.   JOURNAL OF POLYMER RESEARCH

Phase Separation in Sulfonated Poly(ether ether ketone) (SPEEK) Ionomers by Spin Probe ESR: Effect of the Degree of Sulfonation and Water Content

(2015) David Brush et al.   MACROMOLECULES

Novel sulfonated poly (ether ether ketone)/silica coated carbon nanotubes high-performance composite membranes for direct methanol fuel cell

(2015) Li Cui et al.   POLYMERS FOR ADVANCED TECHNOLOGIES

High proton conductivity and low fuel crossover polymer electrolyte membranes derived from branched sulfonated poly(ether ether ketone)s and silica sulfonic acid nanoparticles

(2014) Ye Li et al.   HIGH PERFORMANCE POLYMERS

How Good Are Coarse-Grained Polymer Models? A Comparison for Atactic Polystyrene

(2012) Hossein Ali Karimi-Varzaneh et al.   CHEMPHYSCHEM

Molecular dynamics simulation study of proton diffusion in polymer electrolyte membranes based on sulfonated poly (ether ether ketone)

(2012) Ghasem Bahlakeh et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Fully Aromatic Ionomers with Precisely Sequenced Sulfonated Moieties for Enhanced Proton Conductivity

(2012) Xue-Feng Li et al.   MACROMOLECULES

A predictive multiscale computational framework for viscoelastic properties of linear polymers

(2012) Ying Li et al.   POLYMER

Systematic coarse-graining methods for soft matter simulations – a review

(2012) Emiliano Brini et al.   Soft Matter

Atomistic and mesoscale simulation of polymer electrolyte membranes based on sulfonated poly(ether ether ketone)

(2010) P.V. Komarov et al.   CHEMICAL PHYSICS LETTERS

Atomistic Simulations of Structure of Solvated Sulfonated Poly(ether ether ketone) Membranes and Their Comparisons to Nafion: I. Nanophase Segregation and Hydrophilic Domains

(2010) Chetan V. Mahajan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mesoscale simulation of polymer electrolyte membranes based on sulfonated poly(ether ether ketone) and Nafion

(2010) Pavel V. Komarov et al.   Soft Matter

A molecular dynamics simulation study of hydrated sulfonated poly(ether ether ketone) for application to polymer electrolyte membrane fuel cells: Effect of water content

(2009) Giuseppe Brunello et al.   Journal of Renewable and Sustainable Energy

Predicting polymer dynamics at multiple length and time scales

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

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

(2009) Christine Peter et al.   Soft Matter

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

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