Organic electronics plays an increasingly important role in the semiconductor world. We focus on the simulation of charge transport in organic electronic devices to elucidate the interplay between molecular properties of the organic material and thin film architecture with an emphasis on the understanding the role of interface: organic/inorganic and organic/organic.

• Dresden Center for Computational Materials Science (DCMS), TUD  

• Prof. Dr. Svetlana Santer, University of Potsdam  

• Dr. Anton Kiriy, IPF Dresden

• Dr. Moufdi Hadjab, Mohamed Boudiaf University of M'Sila, Algeria

1. J.-K. Li, M.-Y. Shao, Z.-Y. Yang, O. Guskova
   The merging mechanisms of poly(3-hexylthiophene) domains revealed through scanning tunneling microscopy and molecular dynamics simulations
   Polymer 191 (2020) 122266  
2. V. Savchenko, M. Koch, A. S. Pavlov, M. Saphiannikova, O. Guskova
   Stacks of Azobenzene Stars: Self-Assembly Scenario and Stabilising Forces Quantified in Computer Modelling
   Molecules 24(23) (2019) 4387  
3. M. Koch, M. Saphiannikova, O. Guskova
   Do Columns of Azobenzene Stars Disassemble under Light Illumination?
   Langmuir 35(45) (2019) 14659-14669  
4. D. Raychev, R. D. Méndez-López, A. Kiriy, G. Seifert, J.-U. Sommer, O. Guskova
   Copolymers of Diketopyrrolopyrrole and Benzothiadiazole: Design and Function from Simulations with Experimental Support
   Macromolecules 52(3) (2019) 904-914  

Funding

• DFG, Project GU1510/5-1