Exploration of the Global Minimum and Conical Intersection with Bayesian Optimization.
- Published in:
- Molecular Informatics, 2025, v. 44, n. 2, p. 1, doi. 10.1002/minf.202400041
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- Article
Works by Inagaki, Taichi
Results: 4
1
2
Excited state calculations using variational quantum eigensolver with spin-restricted ansätze and automatically-adjusted constraints.
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- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-00965-1
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- Publication type:
- Article
3
Proton-coupled electron transfer of the phenoxyl/phenol couple: Effect of Hartree-Fock exchange on transition structures.
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- Journal of Computational Chemistry, 2011, v. 32, n. 14, p. 3081, doi. 10.1002/jcc.21892
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- Publication type:
- Article
4
Electrode polarization effects on interfacial kinetics of ionic liquid at graphite surface: An extended lagrangian‐based constant potential molecular dynamics simulation study.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 24, p. 2131, doi. 10.1002/jcc.25865
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- Publication type:
- Article