博士（Materials Science and technology）, パンノニア大学（ハンガリー）

Molecular Dynamics Simulation of Polymer Electrolyte Membrane for Understanding Structure and Proton Conductivity at Various Hydration Levels Using Neural Network Potential
Attila Taborosi, Kentaro Aoki, Nobuyuki Zettsu, Michihisa Koyama, Yuki Nagao
Macromolecules, 2025年03月26日
筆頭著者, 責任著者

Effects of Alkyl Side Chain Length on the Structural Organization and Proton Conductivity of Sulfonated Polyimide Thin Films
Tetsuya Honbo, Yutaro Ono, Kota Suetsugu, Mitsuo Hara, Attila Taborosi, Kentaro Aoki, Shusaku Nagano, Michihisa Koyama, Yuki Nagao
ACS Applied Polymer Materials, 2024年10月21日

Exploring Electrolyte Adsorption on the Different Types of Layered Cathode Surfaces in Lithium-Ion Batteries via a Universal Neural Network Potential Method
Attila Taborosi, Hiromasa Shiiba, Michihisa Koyama, Nobuyuki Zettsu
ACS Omega, 2024年10月01日
筆頭著者, 責任著者

Systematic elucidation of the second coordination sphere effect on the structure and properties of a blue copper protein, pseudoazurin
Takahide Yamaguchi , Attila Taborosi , Chihiro Sakai, Kohei Akao, Seiji Mori, Takamitsu Kohzuma
Journal of Inorganic Biochemistry, 2023年09月
筆頭著者

Development of molecular cluster models to probe pyrite surface reactivity
Manjinder Kour, Attila Taborosi, Eric S. Boyd, Robert K. Szilagyi
Journal of Computational Chemistry, 2023年08月
筆頭著者

Theoretical Investigations of Palladium-Catalyzed [3+2] Annulation via Benzylic and meta C−H Bond Activation
Rie Yoshimoto, Attila Taborosi, Qiyuan He, Yusuke Ano, Naoto Chatani, Seiji Mori
Chemistry–An Asian Journal, 2023年08月
筆頭著者

Unraveling proton conductivity mechanism of alkyl sulfonated polyimides by molecular dynamics using neural network potential
Attila Taborosi, Kentaro Aoki, Nobuyuki Zettsu, Michihisa Koyama, Yuki Nagao
The 105th CSJ Annual Meeting, 2025年03月26日

Electrolyte adsorption on NCM cathodes via neural network potential approach
Attila Taborosi, Michihisa Koyama, Nobuyuki Zettsu
The 92nd Annual Meeting of the Electrochemical Society, 2025年03月20日

Predictive modelling of alkyl sulfonated polyimide (ASPI) combining neural network potential and force field methods
Attila Taborosi, Kentaro Aoki, Noboyuki Zettsu, Michihisa Koyama, Yuki Nagao
73rd Symposium on Macromolecules, 2024年09月27日

Exploring structural and proton conductivity differences in alkyl sulfonated polyimide (ASPI) through neural network potential molecular dynamics
Attila Taborosi, Kentaro Aoki, Noboyuki Zettsu, Michihisa Koyama, Yuki Nagao
73rd Symposium on Macromolecules, 2024年09月26日

Simulation of alkyl sulfonated polyimides (ASPI) for the understanding of structural, water uptake and proton conductivity differences
Attila Taborosi, Kentaro Aoki, Noboyuki Zettsu, Michihisa Koyama, Yuki Nagao
10th Japanese-Italian Workshop on Liquid Crystals, 2024年09月05日

Electrolyte adsorption study on the different types of layered cathode surfaces of lithium-ion batteries with computational chemistry methods
Attila Taborosi, Michihisa Koyama, Nobuyuki Zettsu
The 104th CSJ Annual Meeting, 2024年03月19日

Characterization of the molecular level structure and interactions of different types of alkyl sulfonated polyimide with universal neural network potential
Attila Taborosi, Michihisa Koyama, Yuki Nagao, Nobuyuki Zettsu
The 13th SPSJ International Polymer Conference, 2023年07月20日