We outline the objectives of microscopic simulations of charge and energy transport processes in amorphous organic semiconductors, describe the current status of techniques used to achieve them, and list the challenges such methods face when aiming at quantitative predictions.
B. Baumeier, F. May, C. Lennartz and D. Andrienko, J. Mater. Chem., 2012, 22, 10971 DOI: 10.1039/C2JM30182B
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