Masato Sumita - Publications, H-index & Citations

Masato Sumita

RIKEN Center for Advanced Intelligence Project

28H指数

144论文数

3.2K被引数

收录论文 54

发表时间

Generalizing molecular design via flexible search space control 通过灵活的搜索空间控制实现分子设计的泛化

Communications Chemistry

IF6.2

2026-08-21

OAAI

Satoru Fujii; Yuki Murakami; Tatsuya Yoshizawa; Shoichi Ishida; Nobuo Cho; Masateru Ohta; Teruki Honma; Kazuki Yoshizoe; Masato Sumita; Koji Tsuda; Kei Terayama

MolAtlas: a visualization framework for molecular property distributions to guide functional molecule development MolAtlas：一种用于可视化分子性质分布以指导功能分子开发的框架

npj Computational Materials

IF11.9

2026-07-23

OAAI

Kei Terayama; Shoichi Ishida; Sourav Mete; Kensuke Suga; Ryo Tamura; Shohei Saito; Takashi Nakanishi; Masanobu Naito; Koji Tsuda; Masato Sumita

Computational Analysis of Structural and Photophysical Properties of a 1; 8-Naphthalimide Derivative in Aqueous Solution 1,8-萘二甲酰亚胺衍生物在水溶液中的结构和光物理性质计算分析

The Journal of Physical Chemistry A

IF2.8

2026-04-21

PREAI

Natsumi Watanabe; Masato Sumita; Hironori Izawa; Kiyoshi Yagi; Toru Matsui

Defining a Chemical Space of π-Conjugated Hydrocarbons by Unit-Based Construction 通过单元基构建定义π-共轭烃的化学空间

Journal of Chemical Information and Modeling

IF5.3

2026-04-01

PREAI

Suga, Kensuke; Takahashi, Hayato; Terayama, Kei; Sumita, Masato; Saito, Shohei

Determination of Stable Proton Configurations by Black-Box Optimization Using an Ising Machine 使用伊辛机通过黑盒优化确定稳定的质子构型

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-01-28

OAAI

Lin, Jianbo; Tada, Tomofumi; Koizumi, Ai; Sumita, Masato; Tsuda, Koji; Tamura, Ryo

Qcforever2: Advanced Automation of Quantum Chemistry Computations Qcforerver2: 量子化学计算的高级自动化

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-01-25

PREAI

Sumita, Masato; Terayama, Kei; Ishida, Shoichi; Suga, Kensuke; Saito, Shohei; Tsuda, Koji

Theoretical Insight into the Origin of Dielectric and Magnetoelectric FeCo Alloy-Metal Fluoride Insulators 对介电和磁电FeCo合金-金属氟化物绝缘体的起源的理论见解

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-01-09

PREAI

Sumita, Masato; Takahashi, Hisanao; Sugita, Tomoya; Tsuda, Koji

Revealing factors influencing polymer degradation with rank-based machine learning 基于秩的机器学习揭示影响聚合物降解的因素

PATTERNS

IF7.4

2023-12-01

OAAI

Yuan, Weilin; Hibi, Yusuke; Tamura, Ryo; Sumita, Masato; Nakamura, Yasuyuki; Naito, Masanobu; Tsuda, Koji

Koopmans' Theorem-Compliant Long-Range Corrected (KTLC) Density Functional Mediated by Black-Box Optimization and Data-Driven Prediction for Organic Molecules 通过黑盒优化和数据驱动的有机分子预测介导的符合koopmans定理的长程校正 (KTLC) 密度泛函

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-09-20

PREAI

Terayama, Kei; Osaki, Yamato; Fujita, Takehiro; Tamura, Ryo; Naito, Masanobu; Tsuda, Koji; Matsui, Toru; Sumita, Masato

Ranking Pareto optimal solutions based on projection free energy 基于投影自由能的Pareto最优解排序

PHYSICAL REVIEW MATERIALS

IF3.4

2023-09-19

OAAI

Tamura, Ryo; Terayama, Kei; Sumita, Masato; Tsuda, Koji

Interpretable Fragment-Based Molecule Design with Self-Learning Entropic Population Annealing 具有自学习熵种群退火的可解释的基于片段的分子设计

ADVANCED INTELLIGENT SYSTEMS

IF6.1

2023-08-01

OAAI

Li, Jiawen; Sumita, Masato; Tamura, Ryo; Tsuda, Koji

ChemTSv2: Functional molecular design using de novo molecule generator ChemTSv2: 使用从头分子发生器进行功能分子设计

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2023-07-31

OAAI

Ishida, Shoichi; Aasawat, Tanuj; Sumita, Masato; Katouda, Michio; Yoshizawa, Tatsuya; Yoshizoe, Kazuki; Tsuda, Koji; Terayama, Kei

Anion-? Interactions in Monolayers Formed by Amphiphilic Electron-Deficient Aromatic Compounds at Air/Water Interfaces

LANGMUIR

IF3.9

2023-04-13

PREAI

Akamatsu, Masaaki; Yamanaga, Koji; Tanaka, Kohei; Kanehara, Yurina; Sumita, Masato; Sakai, Kenichi; Sakai, Hideki

QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-09-08

OAAI

Sumita, Masato; Terayama, Kei; Tamura, Ryo; Tsuda, Koji

Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

IF6.9

2022-06-01

OAAI

Fujita, Takehiro; Terayama, Kei; Sumita, Masato; Tamura, Ryo; Nakamura, Yasuyuki; Naito, Masanobu; Tsuda, Koji

High reactivity of H2O vapor on GaN surfaces

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

IF6.9

2022-04-08

OAAI

Sumiya, Masatomo; Sumita, Masato; Tsuda, Yasutaka; Sakamoto, Tetsuya; Sang, Liwen; Harada, Yoshitomo; Yoshigoe, Akitaka

De novo creation of a naked eye-detectable fluorescent molecule based on quantum chemical computation and machine learning 基于量子化学计算和机器学习的裸眼可检测荧光分子的从头创建

SCIENCE ADVANCES

IF12.5

2022-03-11

OAAI

Sumita, Masato; Terayama, Kei; Suzuki, Naoya; Ishihara, Shinsuke; Tamura, Ryo; Chahal, Mandeep K.; Payne, Daniel T.; Yoshizoe, Kazuki; Tsuda, Koji

Integrating Incompatible Assay Data Sets with Deep Preference Learning 将不兼容的检测数据集与深度偏好学习相集成

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2021-12-29

OAAI

Sun, Xiaolin; Tamura, Ryo; Sumita, Masato; Mori, Kenichi; Terayama, Kei; Tsuda, Koji

Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-07-15

OAAI

Terayama, Kei; Sumita, Masato; Katouda, Michio; Tsuda, Koji; Okuno, Yasushi

Discovery of polymer electret material via de novo molecule generation and functional group enrichment analysis

APPLIED PHYSICS LETTERS

IF3.6

2021-06-02

PREAI

Zhang, Yucheng; Zhang, Jinzhe; Suzuki, Kuniko; Sumita, Masato; Terayama, Kei; Li, Jiawen; Mao, Zetian; Tsuda, Koji; Suzuki, Yuji

研究方向