Functional solid state chemistry

Polymer chemistry

Structural organic chemistry and physical organic chemistry

Chemistry and chemical methodology of biomolecules

Inorganic compounds and inorganic materials chemistry

2022 - Present
Shinshu University, Interdisciplinary Cluster for Cutting Edge Research Research Initiative for Supra-Materials

2020 - 2021
Ibaraki University, Graduate School of Science and Engineering

2017 - 2020
Ibaraki University, Graduate School of Science and Engineering

2014 - 2017, University of Pannonia, Montana State University, Material Science and Technology PhD

2013 - 2014, University of Pannonia, Environmental Engineering MSc

2009 - 2012, University of Pannonia, Environmental Engineering BSc

2016
Best Graduate Poster Award of 8th Mid-European Clay Conference

Unified structural and interfacial stabilization of Ni-rich NCM811 via surface-enriched fluorination
Nobuyuki Zettsu; Attila Taborosi; Daniela Maria Josepetti; Youn Charles-Blin; Takumi Kondo; Kensuke Tsunoda; Kenjiro Hara; Hiromasa Shiiba; Shunsuke Narumi; Tien Quang Nguyen; Michihisa Koyama; Long Hoang Bao Nguyen; Nicolas Louvain
Communications Materials, Aug. 2026, Refereed

Structure-hydration-transport relationships in alkyl sulfonated polyimides: backbone-controlled ordering and proton-transport descriptors
Attila Taborosi; Kentaro Aoki; Yuki Nagao; Michihisa Koyama
Polymer, 130575-130575, Jul. 2026, Refereed
Lead, Corresponding

Unraveling the unfolding mechanism of pseudoazurin: Insights into stabilizing cupredoxin fold as a common domain of Cu-containing proteins
Takahide Yamaguchi; Attila Taborosi; Kiyokazu Tsugane; Kathleen Wood; Andrew E. Whitten; Seiji Mori; Takamitsu Kohzuma
Journal of Inorganic Biochemistry, 268, 112907-112907, Jul. 2025, Refereed
Corresponding

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, Apr. 2025, Refereed
Lead, Corresponding

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, Nov. 2024, Refereed

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, Oct. 2024, Refereed
Lead, Corresponding

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, Sep. 2023, Refereed

Development of molecular cluster models to probe pyrite surface reactivity
Manjinder Kour; Attila Taborosi; Eric S. Boyd; Robert K. Szilagyi
Journal of Computational Chemistry, Aug. 2023, Refereed

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, 112292-112292, Jun. 2023, Refereed

Experimental and theoretical studies of the rhodium(i)-catalysed C–H oxidative alkenylation/cyclization of N-(2-(methylthio)phenyl)benzamides with maleimides
Aymen Skhiri; Attila Taborosi; Nozomi Ohara; Yusuke Ano; Seiji Mori; Naoto Chatani
Organic Chemistry Frontiers, 2023, Refereed

Effect of structural iron on nanoscroll formation via exfoliation of a high iron-content kaolin
Balázs Zsirka; Katalin Győrfi; Takahide Yamaguchi; Attila Táborosi; Veronika Vágvölgyi; Clara Parameswary; Zoltán Homonnay; Ernő Kuzmann; Erzsébet Horváth; János Kristóf
Journal of Materials Research, Oct. 2022, Refereed

Reaction Path Determination of Rhodium(I)-Catalyzed C–H Alkylation of N-8-Aminoquinolinyl Aromatic Amides with Maleimides
Attila Taborosi; Qiyuan He; Yusuke Ano; Naoto Chatani; Seiji Mori
The Journal of Organic Chemistry, 87(1), 737-743, Jan. 2022, Refereed
Lead

Unusual protein stability of the met16leu pseudoazurin variant
Yamaguchi, T.; Akatsu, M.; Taborosi, A.; Kohzuma, T.
Chemistry Letters, 49(12), 2020, Refereed

Computational Modelling Study on the Pseudoazurin Type 1 Cu Site
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
Proceedings of the 3rd International Symposium of Quantum Beam Science at Ibaraki University "Quantum Beam Science in Biology and Soft Materials (ISQBSS2018)", Mar. 2019, Refereed
Lead, Corresponding

The role for the weak interaction on the stabilization of copper-containing complex: DFT investigation of noncovalent interactions in ternary-Cu(II) (DA)(AA) complexes (DA = diamine and AA = amino acids) as a model of metalloprotein
Taborosi, A.; Yamaguchi, T.; Odani, A.; Yamauchi, O.; Kohzuma, T.
Bulletin of the Chemical Society of Japan, 92(11), 2019, Refereed
Lead

Solution structure determination of a copper-containing nitrite reductase of achromobacter cycloclastes by small angle neutron scattering
Yamaguchi, T.; Wood, K.; Taborosi, A.; Akao, K.; Kohzuma, T.
Chemistry Letters, 47(6), 2018, Refereed

Molecular Treatment of Nano-Kaolinite Generations
T{\'a}borosi, A.; Szilagyi, R.K.; Zsirka, B.; F{\'o}nagy, O.; Horv{\'a}th, E.; Krist{\'o}f, J.
Inorganic Chemistry, 57(12), 2018, Refereed
Lead

Surface Characterization of Mechanochemically Modified Exfoliated Halloysite Nanoscrolls
Zsirka, B.; T{\'a}borosi, A.; Szab{\'o}, P.; Szil{\'a}gyi, R.K.; Horv{\'a}th, E.; Juzsakova, T.; Fertig, D.; Krist{\'o}f, J.
Langmuir, 33(14), 2017, Refereed

Behaviour of the surface hydroxide groups of exfoliated kaolinite in the gas phase and during water adsorption
T{\'a}borosi, A.; Szil{\'a}gyi, R.K.
Dalton Transactions, 45(6), 2016, Refereed
Lead

Realistic molecular cluster models for exfoliated kaolinite
T{\'a}borosi, A.; Szilagyi, R.K.
Clay Minerals, 50(3), 2015, Refereed
Lead

Adsorption and Intercalation of Small Molecules on Kaolinite from Molecular Modelling Studies
Attila Taborosi
Hungarian Journal of Industry and Chemistry, Aug. 2014, Refereed
Lead, Corresponding

The positions of inner hydroxide groups and aluminium ions in exfoliated kaolinite as indicators of the external chemical environment
T{\'a}borosi, A.; Kurdi, R.; Szil{\'a}gyi, R.K.
Physical Chemistry Chemical Physics, 16(47), 2014, Refereed
Lead

Autosolvation: Architecture and selection of chiral conformers in alkylcobalt carbonyl molecular clocks
Kurdi, R.; T{\'a}borosi, A.; Zucchi, C.; P{\'a}lyi, G.
Symmetry, 6(3), 2014, Refereed

Lithium Ion Conduction and Interfacial Structure of Sulfonated Polyimide Thin Films
長尾祐樹; 青木健太郎; SUWANSOONTORN Athchaya; 原光生; 生田聖也; 宮崎司; 宮田登; 青木裕之; 青木裕之; TABOROSI Attila; 古山通久; 永野修作; 山本勝宏
応用物理学会春季学術講演会講演予稿集(CD-ROM), 71st, 2024

Predicting Proton Conductivity in Alkyl Sulfonated Polyimides through Descriptor-Based Screening
Attila Taborosi; Kentaro Aoki; Yuki Nagao; Michihisa Koyama
2026 Summer Annual Meeting of the Data-Driven Materials Science Research Group, Jul. 2026

Molecular dynamics simulation of ordering and proton conductivity in ASPI polymers
Attila Taborosi; Kentaro Aoki; Yuki Nagao; Michihisa Koyama
The 106th CSJ Annual Meeting, Mar. 2026

Exploring structural, hydration and proton conductivity differences in alkyl sulfonated polyimide (ASPI) through molecular dynamics simulation
Attila Taborosi; Kentaro Aoki; Nobuyuki Zettsu; Yuki Nagao; Michihisa Koyama
Matlantis User Conference 2025, Oct. 2025

Understanding lithium-ion transport mechanism in alkyl sulfonated polyimides at cathode-polymer-electrolyte interfaces via multiscale modeling
Attila Taborosi; Kentaro Aoki; Nobuyuki Zettsu; MichihisaKoyama; Yuki Nagao
74th Symposium on Macromolecules, Sep. 2025

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, Mar. 2025

Electrolyte adsorption on NCM cathodes via neural network potential approach
Attila Taborosi; Michihisa Koyama; Nobuyuki Zettsu
The 92nd Annual Meeting of the Electrochemical Society, Mar. 2025

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, Sep. 2024

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, Sep. 2024

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, Sep. 2024

Electrolyte adsorption study on the different types of layered cathode surfaces of lithium-ion batteries with computational chemistry methods
Attila Taborosi; Michihisa Koyama; Noboyuki Zettsu
The 104th CSJ Annual Meeting, Mar. 2024

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; Noboyuki Zettsu
The 13th SPSJ International Polymer Conference, Jul. 2023

Excessive molecular structure and properties determination of different types of alkyl sulfonated polyimide (ASPI) with universal neural network potential (UNNP)
Attila Taborosi; Yuki Nagao; Michihisa Koyama; Noboyuki Zettsu
The 103rd CSJ Annual Meeting, Mar. 2023

Reaction path determination of rhodium(I)-catalyzed C-H alkylation of aromatic amides with maleimides
Attila Taborosi; Qiyuan He; Yusuke Ano; Naoto Chatani; Seiji Mori
The 6th Japan-Thai online workshop, Nov. 2021

The combined experimental and computational characterization of noncovalent weak interactions with the mutation of Blue Copper Protein, Pseudoazurin
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
The Fourth Asian Workshop of Experiment and Theory in Quantum Beam Molecular Sciences, Nov. 2021

The unfolding mechanism of Pseudoazurin determined by Small Angle Neutron Scattering and Molecular Dynamics simulation
Attila Taborosi; Takahide Yamaguchi; Kathleen Wood; Andrew Whitten; Seiji Mori; Takamitsu Kohzuma
The 101st CSJ Annual Meeting, Mar. 2021

Structural and computational studies of weak interactions at the second coordination sphere of Blue Copper Protein, Pseudoazurin and its Met16X variants
Attila Taborosi
The 70th Conference of Japan Society of Coordination Chemistry, Sep. 2020, Invited

Elucidation of the weak interactions at the second coordination sphere of protein molecule: Structural and energetic studies of S-π, π-π and CH-π interactions in Met16X Pseudoazurin
Attila Taborosi; Takahide Yamaguchi; Chihiro Sakai; Kohei Akao; Seiji Mori; Takamitsu Kohzuma
4th International Symposium of Quantum Beam Science, Oct. 2019

Effect of Met16 mutation in the structure and Cu active size in Blue Copper Protein Pseudoazurin
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
IMS Supercomputer Workshop 2018, Jan. 2019

In silico investigation of non-bonding interactions in ternary Cu(II) complexes and cupredoxin
Attila Taborosi; Seiji Mori; Takamitsu Kohzuma
The 3rd International Symposium of Quantum Beam Science, May 2018

In silico investigation of non-bonding interactions in ternary Cu(II) complexes and cupredoxin
Attila Taborosi; Seiji Mori; Takamitsu Kohzuma
The 3rd International Symposium of Quantum Beam Science, May 2018

In silico examination of non-bonding interactions in proteins
Attila Taborosi; Takahide Yamaguchi; Seiji Mori; Takamitsu Kohzuma
The 98th CSJ Annual Meeting, Mar. 2018

Development of molecular cluster models for nano-kaolinite from crystalline structures
Attila Taborosi; Robert K. Szilagyi
8th Mid-European Clay Conference, Jul. 2016

A pirit ásvány szerkezetének in silico vizsgálata
Attila Taborosi; Robert K. Szilagyi
Innovations in Natural Sciences, Sep. 2015

In silico examination of pyrite mineral structure
Attila Taborosi; Robert K. Szilagyi
College of Engineering Montana State University, Jul. 2015

Investigation of structure and stability of exfoliated kaolinite
Attila Taborosi; Robert K. Szilagyi
2015 Montana ACS Spring Meeting, Apr. 2015

Investigation of the exfoliated kaolinite inner-OH and surface-OH with new molecular cluster model using quantum chemical methods
Attila Taborosi; Robert Kurdi; Robert K. Szilagyi
7th Mid-European Clay Conference, Sep. 2014

Kaolinit-komplexek interkalációs és adszorpciós vizsgálata kvantumkémiai módszerekkel
Attila Taborosi; Robert Kurdi; Robert K. Szilagyi
X. International Conference of Environmental Sciences of the Carpathian Basin, Mar. 2014

2024
The Electrochemical Society of Japan

2024
The Society of Polymer Science

2017
The Chemical Society of Japan

Investigation and structural determination of pyrite minerals with experimental and computational chemistry techniques
Campus Hungary, The Balassi Institute
2015

Adsorption energy determination of kaolinite intercalation complexes with quantum chemistry methods
National Excellence Program, Office of Public Administration and Justice Hungary
2013 - 2014