| 15mer | P3HT chain containing 15 monomers |
| 50mer | P3HT chain containing 50 monomers |
| solvent quality | |
| KMC | Kinetic Monte Carlo |
| MD | Molecular Dynamics |
| Zero-field Mobility | |
| OPLS | Optimized Performance for Liquid Simulations |
| OPV | Organic Photovoltaic |
| P3HT | Poly(3-hexylthiophene) |
| order parameter | |
| modified order parameter | |
| density | |
| standard deviation | |
| T | Temperature |
| VRH | Variable Range Hopping |
| QCC | Quantum Chemical Calculations |