Data-Driven Design of Organic Semiconductors Exhibiting Low Reorganization Energy via Hierarchical Variational Autoencoders, Gaussian Mixture Regression, and Bayesian Optimization

Yamato Nakanishi, Tatsuhito Ando, Nobuyuki N. Matsuzawa, Hiroyuki Maeshima, Hiromasa Kaneko

Open source

DOI
10.1021/acs.jcim.6c00193
Published
2026-06-04
Container
Journal of Chemical Information and Modeling
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jcim.6c00193,
  title = {Data-Driven Design of Organic Semiconductors Exhibiting Low Reorganization Energy via Hierarchical Variational Autoencoders, Gaussian Mixture Regression, and Bayesian Optimization},
  author = {Yamato Nakanishi and Tatsuhito Ando and Nobuyuki N. Matsuzawa and Hiroyuki Maeshima and Hiromasa Kaneko},
  year = {2026},
  journal = {Journal of Chemical Information and Modeling},
  doi = {10.1021/acs.jcim.6c00193},
  url = {https://doi.org/10.1021/acs.jcim.6c00193}
}

RIS

TY  - JOUR
TI  - Data-Driven Design of Organic Semiconductors Exhibiting Low Reorganization Energy via Hierarchical Variational Autoencoders, Gaussian Mixture Regression, and Bayesian Optimization
AU  - Yamato Nakanishi
AU  - Tatsuhito Ando
AU  - Nobuyuki N. Matsuzawa
AU  - Hiroyuki Maeshima
AU  - Hiromasa Kaneko
PY  - 2026
JO  - Journal of Chemical Information and Modeling
DO  - 10.1021/acs.jcim.6c00193
UR  - https://doi.org/10.1021/acs.jcim.6c00193
ER  - 

APA

Nakanishi, Y., Ando, T., Matsuzawa, N. N., Maeshima, H., & Kaneko, H. (2026). Data-Driven Design of Organic Semiconductors Exhibiting Low Reorganization Energy via Hierarchical Variational Autoencoders, Gaussian Mixture Regression, and Bayesian Optimization. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.6c00193

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