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Sumita, Masato
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1

Theoretical Insight into the Origin of Dielectric and Magne..:

Sumita, Masato ; Takahashi, Hisanao ; Sugita, Tomoya.
The Journal of Physical Chemistry C.  128 (2024)  3 - p. 1386-1392 , 2024
Link: https://doi.org/10.1021/..
 
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2

Koopmans' Theorem-Compliant Long-Range Corrected (KTLC) Den..:

Terayama, Kei ; Osaki, Yamato ; Fujita, Takehiro...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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3

Revealing factors influencing polymer degradation with rank..:

Yuan, Weilin ; Hibi, Yusuke ; Tamura, Ryo...
Patterns.  4 (2023)  12 - p. 100846 , 2023
Link: https://doi.org/10.1016/..
 
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4

ChemTSv2: Functional molecular design using de novo molecul..:

Ishida, Shoichi ; Aasawat, Tanuj ; Sumita, Masato...
WIREs Computational Molecular Science.  13 (2023)  6 - p. , 2023
Link: https://doi.org/10.1002/..
 
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5

Anion−π Interactions in Monolayers Formed by Amphiphilic El..:

Akamatsu, Masaaki ; Yamanaga, Koji ; Tanaka, Kohei...
Langmuir.  , 2023
Link: https://doi.org/10.1021/..
 
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6

Interpretable Fragment‐Based Molecule Design with Self‐Lear..:

Li, Jiawen ; Sumita, Masato ; Tamura, Ryo.
Advanced Intelligent Systems.  5 (2023)  10 - p. , 2023
Link: https://doi.org/10.1002/..
 
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7

Selective Detection of Toxic C1 Chemicals Using a Hydroxyla..:

Chahal, Mandeep K. ; Sumita, Masato ; Labuta, Jan...
ACS Sensors.  8 (2023)  4 - p. 1585-1592 , 2023
Link: https://doi.org/10.1021/..
 
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8

A photo-induced colorimetric reaction of N,N'-bis[2-(trimet..:

Izawa, Hironori ; Yasufuku, Fumika ; Matsumoto, Tomoko...
Tetrahedron Letters.  100 (2022)  - p. 153860 , 2022
Link: https://doi.org/10.1016/..
 
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9

High reactivity of H2O vapor on GaN surfaces:

Sumiya, Masatomo ; Sumita, Masato ; Tsuda, Yasutaka...
Science and Technology of Advanced Materials.  23 (2022)  1 - p. 189-198 , 2022
Link: https://doi.org/10.1080/..
 
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10

QCforever: A Quantum Chemistry Wrapper for Everyone to Use ..:

Sumita, Masato ; Terayama, Kei ; Tamura, Ryo.
Journal of Chemical Information and Modeling.  62 (2022)  18 - p. 4427-4434 , 2022
Link: https://doi.org/10.1021/..
 
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11

Automatic Differentiation for the Direct Minimization Appro..:

Yoshikawa, Naruki ; Sumita, Masato
The Journal of Physical Chemistry A.  126 (2022)  45 - p. 8487-8493 , 2022
Link: https://doi.org/10.1021/..
 
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12

Understanding the evolution of a de novo molecule generator..:

Fujita, Takehiro ; Terayama, Kei ; Sumita, Masato...
Science and Technology of Advanced Materials.  23 (2022)  1 - p. 352-360 , 2022
Link: https://doi.org/10.1080/..
 
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13

Automatic Rietveld refinement by robotic process automation..:

Tamura, Ryo ; Sumita, Masato ; Terayama, Kei...
Science and Technology of Advanced Materials: Methods.  2 (2022)  1 - p. 435-444 , 2022
Link: https://doi.org/10.1080/..
 
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14

Discovery of polymer electret material via de novo molecule..:

Zhang, Yucheng ; Zhang, Jinzhe ; Suzuki, Kuniko...
Applied Physics Letters.  118 (2021)  22 - p. , 2021
Link: https://doi.org/10.1063/..
 
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15

Efficient Search for Energetically Favorable Molecular Conf..:

Terayama, Kei ; Sumita, Masato ; Katouda, Michio..
Journal of Chemical Theory and Computation.  17 (2021)  8 - p. 5419-5427 , 2021
Link: https://doi.org/10.1021/..
 
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