Generative Organic Electronic Molecular Design Informed by Quantum Chemistry

نویسندگان

چکیده

Reinforcement learning methods, coupled with quantum chemistry, discover a diverse set of organic singlet fission and triplet–triplet annihilation candidates.

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ژورنال

عنوان ژورنال: Chemical Science

سال: 2023

ISSN: ['2041-6520', '2041-6539']

DOI: https://doi.org/10.1039/d3sc03781a