Singlet fission molecules among known compounds: finding a few needles in a haystack D Padula, ÖH Omar, T Nematiaram, A Troisi Energy & Environmental Science 12 (8), 2412-2416, 2019 | 81 | 2019 |
Investigating the role and scope of catalysts in inverse vulcanization LJ Dodd, O Omar, X Wu, T Hasell ACS Catalysis 11 (8), 4441-4455, 2021 | 55 | 2021 |
Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design K Zhao, ÖH Omar, T Nematiaram, D Padula, A Troisi Journal of Materials Chemistry C 9 (9), 3324-3333, 2021 | 29 | 2021 |
High-throughput virtual screening for organic electronics: a comparative study of alternative strategies ÖH Omar, M Del Cueto, T Nematiaram, A Troisi Journal of Materials Chemistry C 9 (39), 13557-13583, 2021 | 25 | 2021 |
Computational identification of novel families of nonfullerene acceptors by modification of known compounds ZW Zhao, OH Omar, D Padula, Y Geng, A Troisi The Journal of Physical Chemistry Letters 12 (20), 5009-5015, 2021 | 23 | 2021 |
Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds ÖH Omar, T Nematiaram, A Troisi, D Padula Scientific Data 9 (1), 54, 2022 | 20 | 2022 |
Elucidating the relationship between multiradical character and predicted singlet fission activity ÖH Omar, D Padula, A Troisi ChemPhotoChem 4 (10), 5223-5229, 2020 | 18 | 2020 |
Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening OH Omar, X Xie, A Troisi, D Padula Journal of the American Chemical Society 145 (36), 19790-19799, 2023 | 13 | 2023 |
Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules Z Xie, X Evangelopoulos, ÖH Omar, A Troisi, AI Cooper, L Chen Chemical science 15 (2), 500-510, 2024 | 8 | 2024 |
High-throughput Virtual Screening of Existing Organic Chromophores for Materials Discovery O Omar, D Padula, T Nematiaram, A Troisi | | |