Two-Factor Authentication of Dynamic Disorder for Computational Screening of High-Mobility Organic Semiconductors
and previously known high-mobility OSCs. As a result, our physics-inspired two-factor feature engineering and computational screening methodology provides ready-to-use tools for efficient digital materials discovery.
Authors
- Dmitry Yu. Paraschuk (ORCID: https://orcid.org/0000-0002-9156-0657)
- Andrey Yu. Sosorev (ORCID: https://orcid.org/0000-0001-9343-5502)
- Oleg G. Kharlanov (ORCID: https://orcid.org/0000-0002-2546-1247)
- Mikhail V. Vener (ORCID: https://orcid.org/0000-0002-0511-9903)
Institutions
- Lomonosov Moscow State University (RU)
- NS Kurnakova Institute of General and Inorganic Chemistry (RU)
- Institute of Synthetic Polymeric Materials (RU)
Publication Details
- Journal
- Journal of Chemical Theory and Computation
- Published
- 2026-07-27
- DOI
- https://doi.org/10.1021/acs.jctc.6c00533
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Russian Science Foundation