An ellipsoid-chain model for conjugated polymer solutions

Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions

(2011) Jia-Wei Shen et al.   Journal of Chemical Theory and Computation

Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology

(2011) J T Padding et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Parametrization of the Gay–Berne potential for conjugated oligomer with a high aspect ratio

(2010) Cheng K. Lee et al.   JOURNAL OF CHEMICAL PHYSICS

A Predictive Coarse-Grained Model for Semiflexible Polymers in Specific Solvents

(2010) Sheng C. Shie et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Hybrid Solvents Incubated π−π Stacking in Quenched Conjugated Polymer Resolved by Multiscale Computation

(2010) Cheng K. Lee et al.   MACROMOLECULES

Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts

(2009) Paola Carbone et al.   FARADAY DISCUSSIONS

Multiscale Simulation for Conducting Conjugated Polymers from Solution to the Quenching State

(2009) Cheng K. Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model

(2009) Alessandra Villa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation

(2009) Alessandra Villa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2009) Christine Peter et al.   Soft Matter

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

Single-Chain and Aggregation Properties of Semiconducting Polymer Solutions Investigated by Coarse-Grained Langevin Dynamics Simulation

(2008) Cheng K. Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B