Published in
Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 8(10), p. 4170-4180, 2022
DOI: 10.1039/d1ta09762h
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Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th-based organic solar cells with over 15% efficiency
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Abstract
A multi-stage machine learning and molecular dynamics simulation-assisted pipeline is introduced for the time- and cost-efficient design and screening of small molecule acceptors for organic solar cells.