International Center for Materials Nanoarchitectonics (WPI-MANA)
(National Institute for Materials Science
)
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Citation
Description:
(abstract)Artificial intelligence can be used to design new molecules; it is becoming a popular tool because of its potential for discovering molecules in unexplored chemical spaces, its ability to screen a huge number of potential molecules in a short amount of time and its tendency to find unconventional ways of solving problems. However, whether such molecules can be actually synthesized and whether they display the desired functionalities in the real world is an open question.
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In Copyright
In Copyright
Keyword: artificial intelligence, organic molecules, molecule design, density functional theory, photofunctional molecules
Date published: 2018-12-20
Publisher: National Institute for Materials Science
Journal:
- MANA E-BULLETIN vol. 45
Funding:
Manuscript type: Publisher's version (Version of record)
MDR DOI: https://doi.org/10.48505/nims.3785
First published URL: https://www.nims.go.jp/mana/research/highlights/vol45.html
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Updated at: 2023-12-25 00:30:22 +0900
Published on MDR: 2022-12-16 14:02:54 +0900
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[Vol. 45]Artificial Intelligence Learns to Predict Photo-Functional Molecules_ WPI-MANA.pdf
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Size | 133 KB | Detail |