OSCAR Project

The performance of materials in a wide array of device types – from light-emitting materials for displays, semiconducting compounds for transistors, light-absorbing materials for solar cells – is directly related to the way the atoms or molecules are arranged in the solid-state. A major hurdle to the discovery of new materials, is the complete lack of metrics to correlate the structure of a molecule with its likely solid-state order.

Organic Semiconductors by Computationally Accelerated Refinement (OSCAR) project aims to accelerate the development of new electronic and energy materials by developing computational models to predict solid-state order for a common class of high-performance materials.


OSCAR is funded through the generous support of the National Science Foundation (NSF) Designing Materials to Revolutionize and Engineer our Future (DMREF) program.

University of Kentucky: DMR 1627428
Princeton University: DMR 1627453
Wake Forest University: DMR 1627925


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  2. Basiricò, L.; Ciavatti, A.; Fratelli, I.; Dreossi, D.; Tromba, G.; Lai, S.; Cosseddu, P.; Bonfiglio, A.; Mariotti, F.; Dalla Val, C.; Bellucci, V.; Anthony, J. E.; Fraboni, B.; Medical Applications Of Tissue-Equivalent, Organic-Based Flexible Direct X-Ray Detectors. Front. Phys. 2020, 8 ().
  3. Bhardwaj, M.; Ai, Q.; Parkin, S. R.; Grossman, R. B.; An Unusually Short Intermolecular N—H...N Hydrogen Bond In Crystals Of The Hemi-Hydrochloride Salt Of 1-Exo-Acetamidopyrrolizidine. Acta Crystallogr E Cryst Commun 2020, 76 (1), 77-81
  4. Gao, G.; Chen, M.; Roberts, J.; Feng, M.; Xiao, C.; Zhang, G.; Parkin, S.; Risko, C.; Zhang, L.; Rational Functionalization Of A C70 Buckybowl To Enable A C70:Buckybowl Cocrystal For Organic Semiconductor Applications. J. Am. Chem. Soc. 2020, 142 (5), 2460-2470
  5. Gray, V.; Allardice, J. R.; Zhang, Z.; Dowland, S.; Xiao, J.; Petty, A. J.; Anthony, J. E.; Greenham, N. C.; Rao, A.; Direct Vs Delayed Triplet Energy Transfer From Organic Semiconductors To Quantum Dots And Implications For Luminescent Harvesting Of Triplet Excitons. ACS Nano 2020, 14 (4), 4224-4234



Principal Investigator

Organic Chemist  
University of Kentucky

Oana Jurchescu

Principal Investigator

Device Physicist 
Wake Forest University


Principal Investigator

Chemical Engineer
Princeton University


Principal Investigator

Computational Chemist
University of Kentucky


Lead Developer

Graduate Student
University of Kentucky


Former Lead Developer

University of Kentucky