Welcome to the organic electronics research group. Our aim is to combine quantum, atomistic, and coarse-graining simulation techniques to predict macroscopic properties of organic semiconductors.
More detailed description can be found on the
For those who are interested in technical details, an overview can be found here:
Systematic coarse-graining: J. Chem. Theory Comput., 2009, 5, p. 3211
Charge and energy transport: J. Chem. Theory Comput., 2011, 7, p. 3335
Long-range Coulomb interactions: J. Chem. Theory Comput., 2016, 12, p. 4516