| β-Cyclodextrin-crosslinked alginate gel for patient-controlled drug delivery systems: regulation of host–guest interactions with mechanical stimuli H Izawa, K Kawakami, M Sumita, Y Tateyama, JP Hill, K Ariga Journal of Materials Chemistry B 1 (16), 2155-2161, 2013 | 161 | 2013 |
| Interface Water on TiO2 Anatase (101) and (001) Surfaces: First-Principles Study with TiO2 Slabs Dipped in Bulk Water M Sumita, C Hu, Y Tateyama The Journal of Physical Chemistry C 114 (43), 18529-18537, 2010 | 151 | 2010 |
| Hunting for organic molecules with artificial intelligence: molecules optimized for desired excitation energies M Sumita, X Yang, S Ishihara, R Tamura, K Tsuda ACS central science 4 (9), 1126-1133, 2018 | 135 | 2018 |
| Population-based de novo molecule generation, using grammatical evolution N Yoshikawa, K Terayama, M Sumita, T Homma, K Oono, K Tsuda Chemistry Letters 47 (11), 1431-1434, 2018 | 131 | 2018 |
| Black-box optimization for automated discovery K Terayama, M Sumita, R Tamura, K Tsuda Accounts of Chemical Research 54 (6), 1334-1346, 2021 | 122 | 2021 |
| Charged and discharged states of cathode/sulfide electrolyte interfaces in all-solid-state lithium ion batteries M Sumita, Y Tanaka, M Ikeda, T Ohno The Journal of Physical Chemistry C 120 (25), 13332-13339, 2016 | 97 | 2016 |
| Nanoporous carbon sensor with cage-in-fiber structure: Highly selective aniline adsorbent toward cancer risk management Y Kosaki, H Izawa, S Ishihara, K Kawakami, M Sumita, Y Tateyama, Q Ji, ... ACS applied materials & interfaces 5 (8), 2930-2934, 2013 | 76 | 2013 |
| Calorimetric and Spectroscopic Evidence of Chain-Melting in Smectic E and Smectic A Phases of 4-Alkyl-4′-isothiocyanatobiphenyl (nTCB) Y Yamamura, T Adachi, T Miyazawa, K Horiuchi, M Sumita, ... The Journal of Physical Chemistry B 116 (30), 9255-9260, 2012 | 68 | 2012 |
| Entropic Contribution of Flexible Terminals to Mesophase Formation Revealed by Thermodynamic Analysis of 4-Alkyl-4′-isothiocyanatobiphenyl (nTCB) K Horiuchi, Y Yamamura, R Pełka, M Sumita, S Yasuzuka, ... The Journal of Physical Chemistry B 114 (14), 4870-4875, 2010 | 63 | 2010 |
| Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface K Sodeyama, M Sumita, C O’Rourke, U Terranova, A Islam, L Han, ... The Journal of Physical Chemistry Letters 3 (4), 472-477, 2012 | 61 | 2012 |
| Theoretically Designed Li3PO4 (100)/LiFePO4 (010) Coherent Electrolyte/Cathode Interface for All Solid-State Li Ion Secondary Batteries M Sumita, Y Tanaka, M Ikeda, T Ohno The Journal of Physical Chemistry C 119 (1), 14-22, 2015 | 54 | 2015 |
| Optimization of a Heterogeneous Ternary Li3PO4–Li3BO3–Li2SO4 Mixture for Li-Ion Conductivity by Machine Learning K Homma, Y Liu, M Sumita, R Tamura, N Fushimi, J Iwata, K Tsuda, ... The Journal of Physical Chemistry C 124 (24), 12865-12870, 2020 | 51 | 2020 |
| Micrometer-level naked-eye detection of caesium particulates in the solid state T Mori, M Akamatsu, K Okamoto, M Sumita, Y Tateyama, H Sakai, JP Hill, ... Science and technology of advanced materials 14 (1), 015002, 2013 | 44 | 2013 |
| NMR-TS: de novo molecule identification from NMR spectra J Zhang, K Terayama, M Sumita, K Yoshizoe, K Ito, J Kikuchi, K Tsuda Science and technology of advanced materials 21 (1), 552-561, 2020 | 43 | 2020 |
| Water Contamination Effect on Liquid Acetonitrile/TiO2 Anatase (101) Interface for Durable Dye-Sensitized Solar Cell M Sumita, K Sodeyama, L Han, Y Tateyama The Journal of Physical Chemistry C 115 (40), 19849-19855, 2011 | 40 | 2011 |
| Pushing property limits in materials discovery via boundless objective-free exploration K Terayama, M Sumita, R Tamura, DT Payne, MK Chahal, S Ishihara, ... Chemical science 11 (23), 5959-5968, 2020 | 36 | 2020 |
| De novo creation of a naked eye–detectable fluorescent molecule based on quantum chemical computation and machine learning M SUMITA, KEI TERAYAMA, N SUZUKI, S ISHIHARA, RYO TAMURA, ... Science Advances 8 (10), eabj3906, 2022 | 32 | 2022 |
| Calorimetric and dielectric study of organic ferroelectrics, phenazine-chloranilic acid, and its bromo analog M Amano, Y Yamamura, M Sumita, S Yasuzuka, H Kawaji, T Atake, ... The journal of chemical physics 130 (3), 2009 | 32 | 2009 |
| Possible Polymerization of PS4 at a Li3PS4/FePO4 Interface with Reduction of the FePO4 Phase M Sumita, Y Tanaka, T Ohno The Journal of Physical Chemistry C 121 (18), 9698-9704, 2017 | 30 | 2017 |
| Discovery of polymer electret material via de novo molecule generation and functional group enrichment analysis Y Zhang, J Zhang, K Suzuki, M Sumita, K Terayama, J Li, Z Mao, K Tsuda, ... Applied Physics Letters 118 (22), 2021 | 27 | 2021 |
