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Kaito Miyamoto
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Year
Organic Dicarboxylate Negative Electrode Materials with Remarkably Small Strain for High‐Voltage Bipolar Batteries
N Ogihara, T Yasuda, Y Kishida, T Ohsuna, K Miyamoto, N Ohba
Angewandte Chemie International Edition 53 (43), 11467-11472, 2014
1602014
Embedded mean-field theory
ME Fornace*, J Lee*, K Miyamoto*, FR Manby, TF Miller, ...
Journal of Chemical Theory and Computation 11, 568, 2015
1072015
Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory
H Nakai, M Hoshino, K Miyamoto, S Hyodo
The Journal of chemical physics 122 (16), 2005
742005
Entos: A quantum molecular simulation package
F Manby, T Miller, P Bygrave, F Ding, T Dresselhaus, F Batista-Romero, ...
382019
Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory: Contribution of the first-order rovibration coupling
K Miyamoto, M Hoshino, H Nakai
Journal of chemical theory and computation 2 (6), 1544-1550, 2006
292006
Non-Born–Oppenheimer effects predicted by translation-free nuclear orbital plus molecular orbital method
K Sodeyama, K Miyamoto, H Nakai
Chemical physics letters 421 (1-3), 72-76, 2006
272006
Isotope effect in dihydrogen-bonded systems: application of the analytical energy gradient method in the nuclear orbital plus molecular orbital theory
H Nakai, Y Ikabata, Y Tsukamoto, Y Imamura, K Miyamoto, M Hoshino
Molecular Physics 105 (19-22), 2649-2657, 2007
262007
Fock-matrix corrections in density functional theory and use in embedded mean-field theory
K Miyamoto, TF Miller III, FR Manby
Journal of Chemical Theory and Computation 12 (12), 5811-5822, 2016
242016
Water Facilitated Electrochemical Reduction of CO2 on Cobalt-Porphyrin Catalysts
K Miyamoto, R Asahi
The Journal of Physical Chemistry C 123 (15), 9944-9948, 2019
212019
3D-microbattery architectural design optimization using automatic geometry generator and transmission-line model
K Miyamoto, T Sasaki, T Nishi, Y Itou, K Takechi
Iscience 23 (7), 2020
152020
Reply to “Comment on ‘Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory’”[J. Chem. Phys. 123, 237101 (2005)]
H Nakai, M Hoshino, K Miyamoto, S Hyodo
The Journal of Chemical Physics 123 (23), 2005
112005
Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods
SJR Lee, K Miyamoto, F Ding, FR Manby, TF Miller III
Chemical Physics Letters 683, 375-382, 2017
62017
entos: a quantum molecular simulation package. 2019
F Manby, T Miller, P Bygrave, F Ding, T Dresselhaus, F Batista-Romero, ...
ChemRxiv doi 26, 2019
52019
Three-dimensional microbattery design via an automatic geometry generator and machine-learning-based performance simulator
K Miyamoto, S Broderick, K Rajan
Cell Reports Physical Science 2 (7), 2021
32021
Data-driven optimization of 3D battery design
K Miyamoto, SR Broderick, K Rajan
Journal of Power Sources 536, 231473, 2022
22022
Battery design in multiple dimensions
K Miyamoto
US Patent 11,728,549, 2023
2023
Systems and methods for optimizing battery designs in multiple dimensions
K Miyamoto
US Patent 11,568,102, 2023
2023
New Generalized Informatics Framework for Development of Large Scale Virtual Battery Material Databases
SR Broderick, K Miyamoto, K Rajan
arXiv preprint arXiv:2203.08697, 2022
2022
High-Throughput Computation of Li-based Battery Material Databases: Chemistry-Processing-Property Relationships
SR Broderick, K Miyamoto, K Rajan
arXiv preprint arXiv:2203.08699, 2022
2022
A Method to Optimize 3D Microbatteries
K Miyamoto
Electrochemical Society Meeting Abstracts prime2020, 562-562, 2020
2020
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