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

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

Modeling the Dynamics of Chromophores in Conjugated Polymers: The Case of Poly(2-methoxy-5-(2′-ethylhexyl)oxy 1,4-phenylene vinylene) (MEH-PPV)

(2009) Caroline De Leener et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Towardsin SilicoLiquid Crystals. Realistic Transition Temperatures and Physical Properties forn-Cyanobiphenyls via Molecular Dynamics Simulations

(2008) Giustiniano Tiberio et al.   CHEMPHYSCHEM

Molecular Graphics of Convex Body Fluids

(2008) Adrian T. Gabriel et al.   Journal of Chemical Theory and Computation

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