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Up a level2026
Zollner, Malin and Nematiaram, Tahereh (2026) A multireference excited state database for correlation-aware screening of organic semiconductors in excitonic energy-materials discovery. In: AIChemy ECR Exchange: Scotland, 2026-06-02, University of Strathclyde.
Zollner, Malin and Moshfeghi, Yashar and Nematiaram, Tahereh (2026) Learning the limits : how data, diversity, and representation control machine-learning predictions of reorganisation energy. Journal of Materials Chemistry. C, 14 (14). pp. 5999-6011. ISSN 2050-7526
Zollner, Malin and Moshfeghi, Yashar and Nematiaram, Tahereh (2026) Artificial intelligence in the discovery and design of molecular semiconductors : a systematic review. Digital Discovery, 5 (3). pp. 1037-1067. ISSN 2635-098X
2025
Zollner, Malin and Moshfeghi, Yashar and Nematiaram, Tahereh (2025) Balancing accuracy and generalisability for predicting hole and electron reorganisation energy of next Generation organic semiconductors. In: RSC Theoretical Chemistry Graduate Student Meeting 2025, 2025-09-04 - 2025-09-05, Zoom.
Zollner, Malin and Moshfeghi, Yashar and Nematiaram, Tahereh (2025) Balancing accuracy and generalisability for predicting hole and electron reorganisation energy of next generation organic semiconductors. In: Doctoral School Multidisciplinary Symposium (DSMS) 2025, 2025-08-27 - 2025-08-28, United Kingdom.
Zollner, Malin and Nematiaram, Tahereh and Moshfeghi, Yashar (2025) Impact of Dataset Diversity on Machine Learning Prediction of Reorganisation Energies in Organic Semiconductors. In: Scottish Computational Chemistry Symposium 2025, 2025-06-19 - 2025-06-19, University of Strathclyde.