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. 2018 Nov 26;10(12):1305. doi: 10.3390/polym10121305
15mer P3HT chain containing 15 monomers
CA Aromatic Carbon
CT Aliphatic Carbon
ϵ Energy Parameter
εs Solvent Quality
GIXS Grazing Incident X-ray Scattering
GPU Graphical Processing Unit
m Mass
MD Molecular Dynamics
NVT Canonical Ensemble (constant number of particles, colume, and temperature)
OPLS Optimized Potentials for Liquid Simulations
OPLS-UA Optimized Potentials for Liquid Simulations - United Atom
OPV Organic Photovoltaic
P3HT Poly(3-hexylthiophene)
PCE Power Conversion Efficiency
ψ Order Parameter
ρ Density
RDF Radial Distribution Function
S Sulfur
σLJ Lennard–Jones van der Waals radius
t Simulation Unit of Time
T Temperature
TPS Timesteps Per Second
UA United-Atom