Hypercrosslinked polystyrene networks: An atomistic molecular dynamics simulation combined with a mapping/reverse mapping procedure

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Construction and characterization of models of hypercrosslinked polystyrene

(2013) Francesco Ferrante et al.   COLLOID AND POLYMER SCIENCE

Coarse-Grained Modeling of Polystyrene in Various Environments by Iterative Boltzmann Inversion

(2012) Beste Bayramoglu et al.   MACROMOLECULES

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

(2011) Alpeshkumar K. Malde et al.   Journal of Chemical Theory and Computation

On the nature of “functional groups” in non-functionalized hypercrosslinked polystyrenes

(2011) M.P. Tsyurupa et al.   REACTIVE & FUNCTIONAL POLYMERS

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

(2009) Victor Rühle et al.   Journal of Chemical Theory and Computation

Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

(2009) Vagelis A. Harmandaris et al.   MACROMOLECULES

Molecular Dynamics Simulation of Intramolecular Cross-Linking of BCB/Styrene Copolymers

(2009) J. W. Liu et al.   MACROMOLECULES

Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities

(2009) Dominik Fritz et al.   MACROMOLECULES

Nanoporous Polymers for Hydrogen Storage

(2009) Jonathan Germain et al.   Small

Nanoparticle formation by crosslinking a macromolecule

(2008) J. W. Liu et al.   EPL

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

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

Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation

(2008) Tim Mulder et al.   MACROMOLECULES