Artificial neural network encoding of molecular wavefunctions for quantum computing
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Abstract
Molecular wavefunction encoded with artificial neural networks (BM2, BM3, and RBM) is prepared by the quantum algorithm.
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Cites
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Flagged first, then by citations
- Authors
- Hagai, M., Sugiyama, M., Tsuda, K., & Yanai, T.
- Affiliations
- Nagoya University (JP)
- National Institute of Informatics (JP)
- National Institute for Materials Science (JP)
- Institute of Transformative Bio-Molecules (JP)
- Corresponding author
- Hagai, Masaya
- Yanai, Takeshi
- Venue
- Digital Discovery
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2023
- Volume
- 2
- Issue
- 3
- Pages
- 634-650
- ISSN
- 2635-098X (ISSN-L)
- OpenAlex
- W4361854484
- Cited by
- 5
- References
- 10
- Citations by year
- 2025: 1 · 2024: 3 · 2023: 1
- FWCI
- 0.47
- Type
- journal article
- Language
- en
- Open access
- diamond
- doi.org
- Licence
- Locations
- Digital Discovery (publishedVersion, cc-by)
- ChemRxiv (acceptedVersion, cc-by-nc-nd)
- Funders
- Japan Society for the Promotion of Science (21K18931, 21H01881, JPJSBP120229601)
- Japan Science and Technology Agency (17937609, JPMJFR206J, JPMJCR22D3)
- Topics
- Physical Sciences › Computer Science › Artificial Intelligence › Quantum Computing Algorithms and Architecture
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Quantum many-body systems
- Keywords
- artificial neural networks, molecular wave functions, quantum computing, variational quantum algorithms, restricted Boltzmann machine, Boltzmann machine, quantum chemistry
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