| Field | Author(s) | Title | Journal | Volume, Issue, & Page | Year & Month | Notes |
| Polymer | N. Osato, A. Yamaguchi, and N. Arai | General reverse mapping of phase-separating polymers — Bridge from DPD to atomistic MD for star-polymer assemblies | Chem. Phys. Lett. | | 2026/01 | Accepted |
| Surface | T. Kojima, I. Yasuda, T. Sato, N. Arai, and K. Yasuoka | Enhanced premelting at the ice–rubber interface using all-atom molecular dynamics simulation | Langmuir | DOI: 10.1021/acs.langmuir.5c04522 | 2026/XX | Accepted |
| Machine Learning | M. Hamaguchi, T. Yokoyama, H. Miyake, R. Nakatake, and N. Arai | In Silico Prediction of Multi-Component Functional Material Formulations via Machine Learning Coupled with Molecular Simulation: A Case Study on Cleansing Foam Formulations | Ind. Eng. Chem. Res. | | 2025/12 | accepted |
| Micelle, Vesicle | N. Osato, A. Joko, H. Ikeda, and N. Arai | Effect of Propylene–Oxide Segment Length on Cleansing Performance of Detergents with Nonionic Surfactants | J. Surfactants Deterg. | DOI: 10.1002/jsde.12895 | 2025/07 | online published |
| Review | 荒井規允 | 分子シミュレーションと機械学習を活用した界面活性剤水溶液の構造・物性予測 | オレオサイエンス | 25 (7), 285-289 | 2025/07 | |
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| Field | Presenter(s) | Title | Conference | Place | Date | Notes |
| Micelle, Vesicle | H. Ikeda, A. Joko, N. Osato, and N. Arai | Approach to predicting the properties and cleansing performance of nonionic surfactants using coarse-grained molecular simulations | 2026 AOCS Annual Meeting & Expo | New Orleans, Louisiana, USA | 2026/05 | |
| Micelle, Vesicle | S. Sasaki, H. Ueno, N. Arai, K. Asakura, and T. Banno | Creation of Functional Vesicles Composed of Amphiphiles Bearing Amide Linkages with Balancing Structural Stability and Stimuli-Responsiveness | The International Chemical Congress of Pacific Basin Societies 2025 (Pacifichem2025) | Honolulu, Hawaii, USA | 2025/12 | |
| Machine Learning | L. Dong, Y. Ishiwatari, T. Yokoyama, T. Kojima, T. Banno and N. Arai | Machine Learning Prediction of Amphiphilic Self-Assembly in Aqueous Solution Informed by Critical Packing Parameters | The International Chemical Congress of Pacific Basin Societies 2025 (Pacifichem2025) | Honolulu, Hawaii, USA | 2025/12 | |
| Micelle, Vesicle | S. Yamazaki and N. Arai | Investigating Coacervate-to-Vesicle Phase Transition by Dissipative Particle Dynamics Simulation | The International Chemical Congress of Pacific Basin Societies 2025 (Pacifichem2025) | Honolulu, Hawaii, USA | 2025/12 | |
| Surface | M. Ye, F. Meng, and N. Arai | Molecular Dynamics Study on Methane Hydrate Nucleation in Premelting Layers | The International Chemical Congress of Pacific Basin Societies 2025 (Pacifichem2025) | Honolulu, Hawaii, USA | 2025/12 | |
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