Mayumi Puspita：[F3-P203-08] Substitution of KCuTa3O9 with Ba cation Toward Development of New Visible Light Responsive Tantalate Photocatalyst

Takumi Okada：[F3-P203-07] Theoretical and Experimental Investigations of Doping of Divalent Cations into Perovskite-type Metal Oxide Photocatalysts for Water Splitting  

タイトル：Photoelectrochemical CO2 conversion to CO using particulate CuGaS2-based photocathodes under simulated solar light 

発表に関連する論文など：

1. Takayama,T.; Iwase, A.; Kudo, A. "Improvement of Performance to form Syngas utilizing Water and CO2 over Particulate-Cu0.8Ag0.2GaS2-Based Photocathode by Surface Comodification with ZnS and Ag" Sustainable Energy Fuels, 2025, 9, 1709–1716. OPEN ACCESS!! Selected for Front Cover!!

DOI URL: https://doi.org/10.1039/D4SE01738B

1. Takayama, T.; Iwase, A.; Kudo, A. "Enhancing Photocathodic Performances of Particulate-CuGaS2-Based Photoelectrodes via Conjugation with Conductive Organic Polymers for Efficient Solar-Driven Hydrogen Production and CO2 Reduction" ACS Appl. Mater. Interfaces, 2024, 16, 36423–36432. OPEN ACCESS!!

DOI URL: https://doi.org/10.1021/acsami.4c06083

タイトル：中性子照射下での構造材劣化予測に向けたプロセスインフォマティクスに基づくプラットフォーム構築

タイトル：Design of Experimentally Active Electrocatalysts and Photocatalysts using Theoretical Calculation and Machine-Learning

発表に関連する論文など：

1. S. Masuda, Y. Harashima, T. Takayama, S. Takasuka and M. Fujii, "Utilization of Neural Network Potential for Finding Perovskite- Type Metal Oxide Photocathodes Capable of Producing Hydrogen" Mater. Adv. (2025) 6, 4197-4201. OPEN ACCESS!!

https://doi.org/10.1039/D5MA00220F

2. K. Nishiguchi, T. Takayama, S. Takasuka, Y. Harashima, M. Fujii, S. Ten-no, "Divalent cation doping into SrTiO3 for enhancing the photocatalytic performance of water splitting" J. Phys. Chem. Lett. (2025) 16, 2823−2830.

https://doi.org/10.1021/acs.jpclett.5c00070

3. T. Takayama, S. Takasuka, Y. Harashima, M. Fujii, "Experimental and Theoretical Factors in CO2 Reduction on Pd-Based Electrocatalysts and Their Applicability for Integration with Data-Science and High-Throughput Experiments" ChemElectroChem, 2025,12, e202500151. OPEN ACCESS!!

https://doi.org/10.1002/celc.202500151.

Mikiya Fujii(招待講演)：Inorganic Materials Design Utilizing Machine Learning and Generative Adversarial Networks

Wataru Takahara：[P-1] Domain Adaptation of Local LLMs for Metal-Sulfide Photocatalyst Discovery

Viejay Ordillo：[P-10] Generative Modeling for Materials Design and Discovery using Invertible String-based Materials Representation

Hiiro Sugita：[P-12] Selective High-Precision Control of Process Variables in Automated Experimentation

Shuan Shinkawa：[P-13] Data assimilation model combined with symbolic regression for predicting band gaps of perovskite photocatalytic compounds.

Masatake Mizukami：[P-14] Photocatalyst process informatics integrating experiment, simulation, and machine learning

Hiromu Yamada：[P-17] Optimization of Copolymerization Conditions for Novel Copolymers Using Existing Polymerization Data and Physical Information

Mayumi Puspita：[P-18] Distance-based applicability domain for screening Cu-based tantalate materials for visible-light-responsive photocatalyst candidates

Fumiya Yoshinori：[P-20] Predicting the performance of doped hematite photoanodes incorporating the effects of lattice vibrations

Tomiya Yamamoto：[P-22] Evaluation Framework for Thermodynamic and Chemical Validity in Generative Composition Models

Koya Watanabe：[P-24] Development of an XRD Spectrum Generation Model for Crystal Structure Prediction Supporting Multi-site Substitution

タイトル：Materials Dual-Source Knowledge Retrieval-Augmented Generation for Local Large Language Models in Photocatalysts

Journal of Chemical Information and Modeling (2025).

こちらの論文は当研究室で開発している物質科学向け自然言語モデル「mdsk-rag」に関する論文です。

タイトル：マテリアルインフォマティクスの照射影響評価への応用展開