Currently there is great interest in the use of organic materials as the active component in
opto-electronic devices such as field-effect transistors, light-emitting diodes, solar cells and …

Charge transport in organic polymer semiconductors is a complex phenomenon affected by
structural and electronic properties ranging over different length scales, from the molecular …

We present simulations of exciton dissociation and charge separation processes in the
prototypical conjugated polymer, poly-p-phenylenevinylene. Our mixed quantum/classical …

The electronic excited states of amorphous polymeric semiconductor MEH-PPV are
investigated by first principles quantum chemical calculations based on trajectories from …

Singlet and triplet excited-state properties of a single poly-p-phenylenevinylene (PPV) chain
are studied using the Pariser-Parr-Pople-Peierls (PPPP) model combined with the …

Conjugated polymers represent a class of materials which exhibit excellent potential as
versatile and cheap semiconductors in microelectronic devices. Their use in OLED displays …

In this chapter we present a method, electron lattice dynamics (ELD), which describes
charge transport in conjugated polymeric and molecular-based systems. ELD is focused on …