9 pages, 12 figuresAn innovative method is proposed to generate configurations of coarse grained models for polymer melts. This method, largely inspired by chemical ``radical polymerization'', is divided in three stages: (i) nucleation of radicals (reacting molecules caching monomers); (ii) growth of chains within a solvent of monomers; (iii) termination: annihilation of radicals and removal of residual monomers. The main interest of this method is that relaxation is performed as chains are generated. Pure mono and poly-disperse polymers melts are generated and compared to the configurations generated by the Push Off method from Auhl et al.. A detailed study of the static properties (gyration radius, mean square internal distance, entanglem...
An innovative model-based design strategy to synthesize well-defined sequence-controlled polymers is...
This paper introduces a systematic procedure to obtain well-relaxed atomistic melt structures from m...
Living radical polymerization has allowed complex polymer architectures to be synthesized in bulk, s...
9 pages, 12 figuresAn innovative method is proposed to generate configurations of coarse grained mod...
International audienceThis paper presents major improvements in the efficiency of the so-called Radi...
Several methods for preparing well equilibrated melts of long chains polymers are studied. We show t...
A strategy is developed for generating equilibrated high molecular weight polymer melts described wi...
Polymers can be theoretically and computationally described by models pertaining to different length...
We develop novel parallel algorithms that allow molecular dynamics simulations in which byproduct mo...
New synthetic methods in polymer chemistry developed over the last twenty years and advances in mate...
(Graph Presented) A procedure based on Molecular Dynamics (MD) simulations employing soft potentials...
New synthetic methods in polymer chemistry developed over the last twenty years and advances in mate...
We review recent progress in developing a hierarchical strategy for modelling homopolymer melts desc...
This paper introduces a systematic procedure to obtain well-relaxed atomistic melt structures from m...
© 2016 Dr. Thomas George McKenzieThe synthesis of polymers with controlled molecular weights, design...
An innovative model-based design strategy to synthesize well-defined sequence-controlled polymers is...
This paper introduces a systematic procedure to obtain well-relaxed atomistic melt structures from m...
Living radical polymerization has allowed complex polymer architectures to be synthesized in bulk, s...
9 pages, 12 figuresAn innovative method is proposed to generate configurations of coarse grained mod...
International audienceThis paper presents major improvements in the efficiency of the so-called Radi...
Several methods for preparing well equilibrated melts of long chains polymers are studied. We show t...
A strategy is developed for generating equilibrated high molecular weight polymer melts described wi...
Polymers can be theoretically and computationally described by models pertaining to different length...
We develop novel parallel algorithms that allow molecular dynamics simulations in which byproduct mo...
New synthetic methods in polymer chemistry developed over the last twenty years and advances in mate...
(Graph Presented) A procedure based on Molecular Dynamics (MD) simulations employing soft potentials...
New synthetic methods in polymer chemistry developed over the last twenty years and advances in mate...
We review recent progress in developing a hierarchical strategy for modelling homopolymer melts desc...
This paper introduces a systematic procedure to obtain well-relaxed atomistic melt structures from m...
© 2016 Dr. Thomas George McKenzieThe synthesis of polymers with controlled molecular weights, design...
An innovative model-based design strategy to synthesize well-defined sequence-controlled polymers is...
This paper introduces a systematic procedure to obtain well-relaxed atomistic melt structures from m...
Living radical polymerization has allowed complex polymer architectures to be synthesized in bulk, s...