| 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 | 163 | 2014 |
| Embedded mean-field theory ME Fornace*, J Lee*, K Miyamoto*, FR Manby, TF Miller, ... Journal of Chemical Theory and Computation 11, 568, 2015 | 108 | 2015 |
| 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 | 75 | 2005 |
| entos: A quantum molecular simulation package F Manby, T Miller, P Bygrave, F Ding, T Dresselhaus, F Batista-Romero, ... | 37 | 2019 |
| 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 | 29 | 2006 |
| 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 | 28 | 2006 |
| 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 | 27 | 2007 |
| 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 | 25 | 2016 |
| 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 | 23 | 2019 |
| 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 | 16 | 2020 |
| 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 | 11 | 2005 |
| 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 | 7 | 2021 |
| 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 | 6 | 2017 |
| entos: a quantum molecular simulation package. 2019 F Manby, T Miller, P Bygrave, F Ding, T Dresselhaus, F Batista-Romero, ... ChemRxiv doi 26, 2019 | 5 | 2019 |
| Data-driven optimization of 3D battery design K Miyamoto, SR Broderick, K Rajan Journal of Power Sources 536, 231473, 2022 | 3 | 2022 |
| Tailor-Made Design of Three-Dimensional Batteries Using a Simple, Accurate Geometry Optimization Scheme K Miyamoto ACS Physical Chemistry Au 4 (5), 546-554, 2024 | | 2024 |
| 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 |
Thomas MillerCalifornia Institute of TechnologyBestätigte E-Mail-Adresse bei caltech.edu
