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Nematiaram, Tahereh, Padula, Daniele and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2021) Bright Frenkel Excitons in Molecular Crystals: A Survey. CHEMISTRY OF MATERIALS, 33 (9). pp. 3368-3378.

Padula, Daniele, Lee, Myeong H ORCID: 0000-0002-8387-8649, Claridge, Kirsten and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2017) Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics. JOURNAL OF PHYSICAL CHEMISTRY B, 121 (43). pp. 10026-10035.

Padula, Daniele, Simpson, Jack D and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2019) Combining electronic and structural features in machine learning models to predict organic solar cells properties. MATERIALS HORIZONS, 6 (2). pp. 343-349.

Zhao, Zhi-Wen, Omar, Omer H ORCID: 0000-0002-5073-4999, Padula, Daniele, Geng, Yun and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2021) Computational Identification of Novel Families of Nonfullerene Acceptors by Modification of Known Compounds. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 12 (20). pp. 5009-5015.

Omar, Ömer H ORCID: 0000-0002-5073-4999, Padula, Daniele and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2020) Elucidating the Relationship between Multiradical Character and Predicted Singlet Fission Activity. Chemphotochem, 4 (10). pp. 5223-5229.

Claridge, Kirsten, Padula, Daniele and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2018) How fine-tuned for energy transfer is the environmental noise produced by proteins around biological chromophores? PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20 (25). pp. 17279-17288.

Omar, Ömer H ORCID: 0000-0002-5073-4999, Xie, Xiaoyu ORCID: 0000-0002-0644-5460, Troisi, Alessandro ORCID: 0000-0002-5447-5648 and Padula, Daniele ORCID: 0000-0002-7171-7928 (2023) Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening. Journal of the American Chemical Society, 145 (36). pp. 19790-19799.

Fornari, Rocco P, Rowe, Patrick, Padula, Daniele and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2017) Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13 (8). pp. 3754-3763.

Zhao, Ke, Omar, Ömer H ORCID: 0000-0002-5073-4999, Nematiaram, Tahereh, Padula, Daniele and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2021) Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design. Journal of Materials Chemistry C, 9 (9). pp. 3324-3333.

Nematiaram, Tahereh, Padula, Daniele, Landi, Alessandro and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2020) On the Largest Possible Mobility of Molecular Semiconductors and How to Achieve It. ADVANCED FUNCTIONAL MATERIALS, 30 (30). p. 2001906.

Omar, Omer H, Nematiaram, Tahereh, Troisi, Alessandro ORCID: 0000-0002-5447-5648 and Padula, Daniele (2022) Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds. SCIENTIFIC DATA, 9 (1). 54-.

Padula, Daniele, Omar, Omer H ORCID: 0000-0002-5073-4999, Nematiaram, Tahereh and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2019) Singlet fission molecules among known compounds: finding a few needles in a haystack. Energy and Environmental Science, 12 (8). pp. 2412-2416.