Analysis and modelling of organic semiconductor properties by quantum chemistry methods

Operation co-funded by EU cohesion policy (European Social Fund (ESF)) under the programme EU Structural Funds Investments - LT - ERDF/ESF/CF/YEI (2014LT16MAOP001), managing authority: Finansų ministerija. The source names no beneficiary for this operation. Location: Kauno apskritis (NUTS LT022); Lithuania. Budget: total eligible expenditure EUR 53,845.79; EU co-financing EUR 53,845.79 (co-financing rate 100%), as stated by the source. Runs 2017-11-28 to 2021-03-15. Source: Kohesio, EU cohesion policy projects managed by national and regional authorities (not CORDIS). Summary from Kohesio (English machine translation by the source): Devices based on organic materials are characterised by compactness and lower energy consumption. Global demand for organic (opto)electronics is forecast to reach USD 76 billion in 2020. Increasing interest in organic semiconductors encourages the improvement of their research and characterisation methods. More than a few decades ago, various developments in organic semiconductors were interpreted solely on the basis of experimental data. In recent years, quantum chemistry calculations have been particularly intensive to characterise events and explain unknown phenomena in molecules observed during experiments. The abundance of scientific publications on organic semiconductors shows that most of the theoretical results are analysed superficially. During the project, the properties of synthesised new organic semiconductors will be studied and modelled. Using quantum chemistry calculations, the properties of optical, photophysical and photoelectric materials will be interpreted. The study carried out will provide valuable information on the influence of substitutes, their quantity and position in the molecule on the properties of the compounds, thus allowing to predict the structures of organic semiconductors with the optimal combination of properties.

Original source.

Source: Kohesio (EU cohesion policy projects), European Commission, Directorate-General for Regional and Urban Policy (DG REGIO). Retrieved 2026-10-21. Licence: CC0 1.0 (Cohesion Open Data Platform, dataset 2014-2020 Kohesio projects). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: public domain dedication (CC0 1.0).

AI-assisted summary: The operation, co-funded by the EU, focuses on the analysis and modeling of organic semiconductor properties using quantum chemistry methods in Kauno apskritis, Lithuania, with a total budget of EUR 53,845.79 from 2017 to 2021. Suggested technology pillar: simulation. Generated by AI from the public source text; it may contain errors and the original source is authoritative.