Chan Bun (Bun Chan) - マイポータル

基本情報

所属: 長崎大学大学院工学研究科
: RIKEN Center for Computational Science Visiting Scholar

学位: PhD(University of Otago)

J-GLOBAL ID: 201801003353061191
researchmap会員ID: B000300221

外部リンク: http://bit.ly/bunchan

研究キーワード

研究分野

経歴

2016年 - 現在

Nagasaki University, Graduate School of Engineering

委員歴

2021年 - 現在

Frontiers in Chemistry, associate editor
2017年 - 現在

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

受賞

2019年

AATACC International Fellow

Bun Chan
2014年

JSPS Long-Term Invitation Fellow

Bun Chan

論文

198

High-quality reference quantities for the LiTC set of small Li clusters

Bun Chan

Chemical Physics Letters 2025年2月
Intermarrying MOF Glass and Lead Halide Perovskites for Artificial Photosynthesis

Wengang Huang, Bun Chan, Yuwei Yang, Peng Chen, Jingjing Wang, Lachlan Casey, Cesare Atzori, Tobias Schulli, Olivier Mathon, Haira G. Hackbarth …

Journal of the American Chemical Society 2024年12月29日
Data Quality in the Fitting of Approximate Models: A Computational Chemistry Perspective

Bun Chan, William Dawson, Takahito Nakajima

Journal of Chemical Theory and Computation 2024年12月10日
The Paradox of Global Multireference Diagnostics

Bun Chan

The Journal of Physical Chemistry A 2024年11月14日
The Bond Energy of the Carbon Skeleton in Polyaromatic Halohydrocarbon Molecules

Bun Chan, Amir Karton

ChemPhysChem 2024年11月4日
Ionization of small atmospheric acid–base clusters and its prospective role in seeding the growth of aqueous clusters

Bun Chan

International Journal of Mass Spectrometry 2024年9月
Exploiting the Correlation between the 1s, 2s, and 2p Energies for the Prediction of Core-Level Binding Energies of Si, P, S, and Cl species

Kimihiko Hirao, Takahito Nakajima, Bun Chan

The Journal of Physical Chemistry A 128(33) 6879-6897 2024年8月9日
Limiting factors in the accuracy of DFT calculation for redox potentials

Bun Chan

Journal of Computational Chemistry 2024年5月30日
Methide Affinity Scale: Key Thermodynamic Data Underpinning Catalysis, Organic Synthesis, and Organometallic and Polymer Chemistry

Weam A. O. Altalhi, Bun Chan, Richard A. J. O’Hair

The Journal of Physical Chemistry A 2024年2月15日
The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy

Kimihiko Hirao, Takahito Nakajima, Bun Chan, Ho‐Jin Lee

Journal of Computational Chemistry 2024年1月30日
Atomic-resolution structure analysis inside an adaptable porous framework

Yuki Wada, Pavel M. Usov, Bun Chan, Makoto Mukaida, Ken Ohmori, Yoshio Ando, Haruhiko Fuwa, Hiroyoshi Ohtsu, Masaki Kawano

Nature Communications 2024年1月2日
Identifying and embedding transferability in data-driven representations of chemical space

Tim Gould, Bun Chan, Stephen G. Dale, Stefan Vuckovic

Chemical Science 2024年
Sorting drug conformers in enzyme active sites: the XTB way

Bun Chan, William Dawson, Takahito Nakajima

Physical Chemistry Chemical Physics 2024年
The spatial dependence of intervalence charge transfer in an electroactive metal–organic framework

Eleanor R. Kearns, Bun Chan, Hunter J. Windsor, William Lewis, Deanna M. D'Alessandro

Materials Advances 2024年
DAPD Set of Pd-Containing Diatomic Molecules: Accurate Molecular Properties and the Great Lengths to Obtain Them

Bun Chan

Journal of Chemical Theory and Computation 2023年12月26日
Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction Thermochemistry

Bun Chan, Junming Ho

The Journal of Physical Chemistry A 2023年11月30日
Core-Level 2s and 2p Binding Energies of Third-Period Elements (P, S, and Cl) Calculated by Hartree–Fock and Kohn–Sham ΔSCF Theory

Kimihiko Hirao, Takahito Nakajima, Bun Chan

The Journal of Physical Chemistry A 2023年9月28日
Counterpoise correction from a practical perspective: is the result worth the cost?

Bun Chan, Junming Ho

Australian Journal of Chemistry 2023年9月13日
The prospects of cation transfer to chalcogen nucleophiles

Bun Chan, Seiji Shirakawa

Canadian Journal of Chemistry 2023年9月1日
Compilation of Ionic Clusters with the Rock Salt Structure: Accurate Benchmark Thermochemical Data, Assessment of Quantum Chemistry Methods, and the Convergence Behavior of Lattice Energies

Bun Chan

The Journal of Physical Chemistry A 2023年7月13日

もっとみる

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 2014年8月

講演・口頭発表等

The Unusual Suspect (in DFT Benchmark)

Molecular Modelling 2023 2023年12月招待有り
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6月
The Unusual Suspect (in DFT Benchmark)

10th Asian Pacific Conference of Theoretical and Computational Chemistry 2023年3月招待有り
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7月招待有り
Computational fullerene thermochemistry: Where no experiment has gone before

Bun Chan

Pacifichem – Computation Quantum Chemistry: Synergism Between Theory and Experiment 2021年12月招待有り
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月招待有り
How Do the Latest and Greatest DFTs Fare for Transition Metals?

24th Conference of Japan Society of Theoretical Chemistry 2021年9月招待有り
Computational Fullerene Thermochemistry

Bun Chan

9th Conference of the Asia-Pacific Association of Theoretical and Computational Chemists 2019年10月招待有り
Computational Thermochemical Stability of Fullerenes

Bun Chan

International Conference on Emerging Advanced Nanomaterials 2018 2018年11月招待有り
Computational Thermochemistry for Every Need

Bun Chan

21st Conference of Japan Society of Theoretical Chemistry 2018年5月
From G4(MP2)-6X to W3X-L: A Range of Efficient and Accurate Thermochemical Composite Protocols

Bun Chan

8th Conference of the Asia-Pacific Association of Theoretical and Computational Chemists 2017年12月招待有り
Efficient Computational Methods for the Accurate Calculation of Thermochemical Properties

Bun Chan

20th Conference of Japan Society of Theoretical Chemistry 2017年5月
Double hybrid DFTs and Their Applications to Fullerene Chemistry

Bun Chan

GAMESS7557 Meeting 2017年1月招待有り
Double-Hybrid Density Functional Theory: Development and Application to Fullerene Chemistry

Bun Chan

Australian Symposium on Computational Chemistry 2016年12月招待有り
Efficient Computational Methods for the Accurate Calculation of Thermochemical Properties

Bun Chan

23rd IUPAC Conference on Physical Organic Chemistry 2016年7月
WnX: A Series of Highly-Accurate and Efficient Composite Procedures

Bun Chan

7th Conference of the Asia-Pacific Association of Theoretical and Computational Chemists 2016年1月招待有り
Efficient Computational Methods for the Accurate Calculation of Thermochemical Properties

Bun Chan

The International Chemical Congress of Pacific Basin Societies (Pacifichem) 2015 2015年12月
WnX: Efficient Composite Procedures with Explicitly-Correlated Coupled-Cluster

Bun Chan

Novel Computational Methods for Quantitative Electronic Structure Calculations 2015年6月招待有り

担当経験のある科目(授業)

所属学協会

共同研究・競争的資金等の研究課題

1-Click Drug Discovery from Genome to Therapeutics on the Fugaku Computer

Hyogo Science and Technology Association 2022年 - 2023年

Bun Chan
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

Bun Chan
Program for Advancing Strategic International Networks to Accelerate the Circulation of Talented Researchers

Japan Society for the Promotion of Science 2017年 - 2019年

Bun Chan, Masanari Kimura
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

Bun Chan

Chan Bun

基本情報

研究キーワード

研究分野

経歴

委員歴

受賞

論文

MISC

講演・口頭発表等

担当経験のある科目(授業)

所属学協会

共同研究・競争的資金等の研究課題

メニュー

共著者の一覧