研究キーワード	research interests	Electron correlation,Metal-organic frameworks,Computational chemistry,Density functional theory,Physical organic chemistry,Fullerene	Electron correlation,Metal-organic frameworks,Computational chemistry,Density functional theory,Physical organic chemistry,Fullerene

研究分野	research research_areas	生物物理、化学物理、ソフトマターの物理,計算科学,基礎物理化学	Bio-, chemical, and soft-matter physics,Computational science,Basic physical chemistry

学歴	education

経歴	experience	2016年 － Nagasaki University Graduate School of Engineering 2016 － Nagasaki University Graduate School of Engineering

委員歴	committee memberships	2021年 － Frontiers in Chemistry associate editor 2017年 － Chemical Data Collections editorial board member 2019年 － 2021年 Pacifichem "From Homogeneous to Heterogeneous Catalysis: A Computational Perspective" Symposium organizing commitee 2018年 － 2019年 APATCC 2019 Congress organizing committee 2021 － Frontiers in Chemistry associate editor 2017 － Chemical Data Collections editorial board member 2019 － 2021 Pacifichem "From Homogeneous to Heterogeneous Catalysis: A Computational Perspective" Symposium organizing commitee 2018 － 2019 APATCC 2019 Congress organizing committee

所属学協会	association memberships	American Chemical Society,Royal Australian Chemical Institute,分子科学会	American Chemical Society,Royal Australian Chemical Institute,Japan Society for Molecular Science

受賞	awards	2019年 AATACC International Fellow 2014年 JSPS Long-Term Invitation Fellow 2019年 AATACC International Fellow 2014年 JSPS Long-Term Invitation Fellow

論文	papers	Isoelectronic Boron–Nitride Analogous of Fullerenes: A Computational Investigation into Their Thermochemical Properties Bun Chan The Journal of Physical Chemistry A 2026年09月03日 An Adaptable Porous Metal–Organic Framework for Structural Visualization of Beyond Rule of 5 Molecules on the Microgram Scale Taichi Baba,Yu Tagami,Natsumi Watanabe,Bun Chan,Tomoki Nakagawa,Yiying Zhu,Arihiro Iwasaki,Pavel M. Usov,Yuki Wada,Masaki Kawano Journal of the American Chemical Society 2026年08月19日 Oxygen Attachment Dissociation of Protonated Reserpine and Its Analogs Jack G. Li,Chris J. Bowen,Bun Chan,Adam W. E. Stewart,Hidenori Takahashi,Richard A. J. O'Hair Rapid Communications in Mass Spectrometry 2026年07月30日 Interplay Between Oxidation State, Intervalence Charge Transfer Transitions and Electronic Conductivity in a Series of Ru‐Based Metal–Organic Frameworks Wang Zhang,Chunyu Luo,Hiroaki Suzuki,Hiroyoshi Ohtsu,Kiyohiro Adachi,Daisuke Hashizume,Bun Chan,Koji Harano,Biplab Manna,Yuki Wada,Masa‐aki Haga,Pavel M. Usov,Masaki Kawano Small 2026年07月24日 Filling the Gap of the Heats of Formation for Organophosphorus Species in the NIST Chemistry WebBook with Reliable Quantum-Chemistry Computations Bun Chan The Journal of Physical Chemistry A 2026年05月21日 Quantum Dot Formation through Controlled Hybrid Perovskite Decomposition within Metal Organic Framework Glass Jaeho Lee,Wengang Huang,Xiangyi Zha,Xuemei Li,Zixi Xie,Peng Chen,Chenghan Sun,Muhammad Yazid Bin Zulkifli,Sang T. Pham,Bun Chan,Marija Švegovec,Atul Shukla,Junyong Zhu,Rijia Lin,Nicholas M. Bedford,Vicki Chen,Sean Collins,Andraž Krajnc,Anthony K. Cheetham,Lianzhou Wang,Jingwei Hou Chemistry of Materials 2026年02月10日 Melt-sintering of MOF glass–2D nanosheet composites for enhanced processability and gas separation performance Jie Yang,Shuke Zhao,Wengang Huang,Bun Chan,Zhonghao Xu,Meilin Yin,Weikang Lin,Milton Chai,Rijia Lin,Shuwen Yu,Mingyuan Lu,Na Li,Wei Li,Xiwang Zhang,Vicki Chen,Jingwei Hou Chemical Science 2026年 XTB Nano‐Reactor for Essential Organic Reactions Bun Chan,Tomohiro Atarashi,Kiko Ito,Shiki Mizuochi,Masafumi Yamashiro,William Dawson,Takahito Nakajima Journal of Computational Chemistry 2025年12月05日 Monolithic Metal Organic Framework TiO2 Crystal Glass Composites for Photocatalytic Micropollutant Removal Xuemei Li,Zhigang Yu,Wengang Huang,Bun Chan,Xianlong Li,Jingbo Wang,Jeffrey R. Hamer,Haijiao Lu,Dominiquie Appadoo,Milton Chai,Junyong Zhu,Zhenghua Zhang,Zhiliang Wang,Vicki Chen,Lianzhou Wang,Jingwei Hou Chemistry of Materials 2025年09月23日 Structural Elucidation of Nucleophilic Compounds through Synergistic Coordination and Hydrogen Bonding in a Metal–Organic Framework Tomoki Nakagawa,Yuki Wada,Bun Chan,Taichi Baba,Kengo Hanaya,Yuta Koseki,Ryuji Asano,Katsuyuki Aoki,Pavel M. Usov,Masaki Kawano Journal of the American Chemical Society 2025年08月13日 Isoelectronic Boron–Nitride Analogous of Fullerenes: A Computational Investigation into Their Thermochemical Properties Bun Chan The Journal of Physical Chemistry A 2026/09/03 An Adaptable Porous Metal–Organic Framework for Structural Visualization of Beyond Rule of 5 Molecules on the Microgram Scale Taichi Baba,Yu Tagami,Natsumi Watanabe,Bun Chan,Tomoki Nakagawa,Yiying Zhu,Arihiro Iwasaki,Pavel M. Usov,Yuki Wada,Masaki Kawano Journal of the American Chemical Society 2026/08/19 Oxygen Attachment Dissociation of Protonated Reserpine and Its Analogs Jack G. Li,Chris J. Bowen,Bun Chan,Adam W. E. Stewart,Hidenori Takahashi,Richard A. J. O'Hair Rapid Communications in Mass Spectrometry 2026/07/30 Interplay Between Oxidation State, Intervalence Charge Transfer Transitions and Electronic Conductivity in a Series of Ru‐Based Metal–Organic Frameworks Wang Zhang,Chunyu Luo,Hiroaki Suzuki,Hiroyoshi Ohtsu,Kiyohiro Adachi,Daisuke Hashizume,Bun Chan,Koji Harano,Biplab Manna,Yuki Wada,Masa‐aki Haga,Pavel M. Usov,Masaki Kawano Small 2026/07/24 Filling the Gap of the Heats of Formation for Organophosphorus Species in the NIST Chemistry WebBook with Reliable Quantum-Chemistry Computations Bun Chan The Journal of Physical Chemistry A 2026/05/21 Quantum Dot Formation through Controlled Hybrid Perovskite Decomposition within Metal Organic Framework Glass Jaeho Lee,Wengang Huang,Xiangyi Zha,Xuemei Li,Zixi Xie,Peng Chen,Chenghan Sun,Muhammad Yazid Bin Zulkifli,Sang T. Pham,Bun Chan,Marija Švegovec,Atul Shukla,Junyong Zhu,Rijia Lin,Nicholas M. Bedford,Vicki Chen,Sean Collins,Andraž Krajnc,Anthony K. Cheetham,Lianzhou Wang,Jingwei Hou Chemistry of Materials 2026/02/10 Melt-sintering of MOF glass–2D nanosheet composites for enhanced processability and gas separation performance Jie Yang,Shuke Zhao,Wengang Huang,Bun Chan,Zhonghao Xu,Meilin Yin,Weikang Lin,Milton Chai,Rijia Lin,Shuwen Yu,Mingyuan Lu,Na Li,Wei Li,Xiwang Zhang,Vicki Chen,Jingwei Hou Chemical Science 2026 XTB Nano‐Reactor for Essential Organic Reactions Bun Chan,Tomohiro Atarashi,Kiko Ito,Shiki Mizuochi,Masafumi Yamashiro,William Dawson,Takahito Nakajima Journal of Computational Chemistry 2025/12/05 Monolithic Metal Organic Framework TiO2 Crystal Glass Composites for Photocatalytic Micropollutant Removal Xuemei Li,Zhigang Yu,Wengang Huang,Bun Chan,Xianlong Li,Jingbo Wang,Jeffrey R. Hamer,Haijiao Lu,Dominiquie Appadoo,Milton Chai,Junyong Zhu,Zhenghua Zhang,Zhiliang Wang,Vicki Chen,Lianzhou Wang,Jingwei Hou Chemistry of Materials 2025/09/23 Structural Elucidation of Nucleophilic Compounds through Synergistic Coordination and Hydrogen Bonding in a Metal–Organic Framework Tomoki Nakagawa,Yuki Wada,Bun Chan,Taichi Baba,Kengo Hanaya,Yuta Koseki,Ryuji Asano,Katsuyuki Aoki,Pavel M. Usov,Masaki Kawano Journal of the American Chemical Society 2025/08/13 さらに表示する more

MISC	How are bond dissociation enthalpies influenced by protonation state? Leo Radom,Michael Morris,Bun Chan,Ambili Menon,Thomas Bally ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248巻 2014年08月 How are bond dissociation enthalpies influenced by protonation state? Leo Radom,Michael Morris,Bun Chan,Ambili Menon,Thomas Bally ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248. 2014/08

書籍等出版物	books

講演・口頭発表等	conference	The Unusual Suspect (in DFT Benchmark) Molecular Modelling 2023 2023年12月 DFT prediction of reduction potentials 69th Polarographic and Electroanalytical Chemistry Symposium 2023年10月 The Unusual Suspect (in DFT Benchmark) 60th Kyushu Area Joint Meeting of the Chemistry-Related Societies 2023年06月 The Unusual Suspect (in DFT Benchmark) 10th Asian Pacific Conference of Theoretical and Computational Chemistry 2023年03月 How do the latest and greatest DFTs fare for transition metals? Bun Chan Twelfth Triennial Congress of the World Association of Theoretical and Computational Chemists 2022年07月 How do the latest and greatest DFTs fare for transition metals? Bun Chan Pacifichem – From Homogeneous to Heterogeneous Catalysis: A Computational Perspective 2021年12月 Computational fullerene thermochemistry: Where no experiment has gone before Bun Chan Pacifichem – Computation Quantum Chemistry: Synergism Between Theory and Experiment 2021年12月 How Do the Latest and Greatest DFTs Fare for Transition Metals? Bun Chan 24th Conference of Japan Society of Theoretical Chemistry 2021年09月 Computational Fullerene Thermochemistry Bun Chan 9th Conference of the Asia-Pacific Association of Theoretical and Computational Chemists 2019年10月 Computational Thermochemical Stability of Fullerenes Bun Chan International Conference on Emerging Advanced Nanomaterials 2018 2018年11月 The Unusual Suspect (in DFT Benchmark) Molecular Modelling 2023 2023/12 DFT prediction of reduction potentials 69th Polarographic and Electroanalytical Chemistry Symposium 2023/10 The Unusual Suspect (in DFT Benchmark) 60th Kyushu Area Joint Meeting of the Chemistry-Related Societies 2023/06 The Unusual Suspect (in DFT Benchmark) 10th Asian Pacific Conference of Theoretical and Computational Chemistry 2023/03 How do the latest and greatest DFTs fare for transition metals? Bun Chan Twelfth Triennial Congress of the World Association of Theoretical and Computational Chemists 2022/07 How do the latest and greatest DFTs fare for transition metals? Bun Chan Pacifichem – From Homogeneous to Heterogeneous Catalysis: A Computational Perspective 2021/12 Computational fullerene thermochemistry: Where no experiment has gone before Bun Chan Pacifichem – Computation Quantum Chemistry: Synergism Between Theory and Experiment 2021/12 How Do the Latest and Greatest DFTs Fare for Transition Metals? Bun Chan 24th Conference of Japan Society of Theoretical Chemistry 2021/09 Computational Fullerene Thermochemistry Bun Chan 9th Conference of the Asia-Pacific Association of Theoretical and Computational Chemists 2019/10 Computational Thermochemical Stability of Fullerenes Bun Chan International Conference on Emerging Advanced Nanomaterials 2018 2018/11 さらに表示する more

担当経験のある項目	teaching experience	English Communication for Researchers,Supercomputing for Scientific Research,Cultural Exchange with English as a Second Language,Advanced English Course for Researchers,Training for Presentation in International Symposium	English Communication for Researchers,Supercomputing for Scientific Research,Cultural Exchange with English as a Second Language,Advanced English Course for Researchers,Training for Presentation in International Symposium

Works

競争的資金等の研究課題	research grants	1-Click Drug Discovery from Genome to Therapeutics on the Fugaku Computer Hyogo Science and Technology Association 2022年 - 2023年 A Focused Fragment Approach for Rapid and Accurate Computation of Molecular Interactions in Large Biological Systems Tokyo Ohka Foundation for the Promotion of Science and Technology 2021年 - 2022年 研究代表者 Program for Advancing Strategic International Networks to Accelerate the Circulation of Talented Researchers Japan Society for the Promotion of Science 2017年 - 2019年 研究代表者 Advancing Quantum Chemistry for Accurate and Rapid Computation of Broad Range of Chemical Systems Japan Society for the Promotion of Science 2016年 - 2018年 研究代表者 1-Click Drug Discovery from Genome to Therapeutics on the Fugaku Computer Hyogo Science and Technology Association 2022 - 2023 A Focused Fragment Approach for Rapid and Accurate Computation of Molecular Interactions in Large Biological Systems Tokyo Ohka Foundation for the Promotion of Science and Technology 2021 - 2022 principal_investigator Program for Advancing Strategic International Networks to Accelerate the Circulation of Talented Researchers Japan Society for the Promotion of Science 2017 - 2019 principal_investigator Advancing Quantum Chemistry for Accurate and Rapid Computation of Broad Range of Chemical Systems Japan Society for the Promotion of Science 2016 - 2018 principal_investigator

特許	patents

社会貢献活動	social contribution

メディア報道	media_coverage

学術貢献活動	academic_contribution

その他	etc