Bun Chan

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2025 J jnl
AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions.
CoRR
Stephen G. Dale, Nikita Kazeev, Alastair J. A. Price, Victor Posligua, Stephan Roche, O. Anatole von Lilienfeld, Konstantin S. Novoselov, Xavier Bresson, Gianmarco Mengaldo, Xudong Chen, Terence J. O'Kane, Emily R. Lines, Matthew J. Allen, Amandine E. Debus, Clayton Miller, Jiayu Zhou, Hiroko H. Dodge, David Rousseau, Andrey Ustyuzhanin, Ziyun Yan, Mario Lanza, Fabio Sciarrino, Ryo Yoshida, Zhidong Leong, Teck Leong Tan, Qianxiao Li, Adil Kabylda, Igor Poltavsky, Alexandre Tkatchenko, Sherif Abdulkader Tawfik, Prathami Divakar Kamath, Théo Jaffrelot Inizan, Kristin A. Persson, Bryant Y. Li, Vir Karan, Chenru Duan, Haojun Jia, Qiyuan Zhao, Hiroyuki Hayashi, Atsuto Seko, Isao Tanaka, Omar M. Yaghi, Tim Gould, Bun Chan, Stefan Vuckovic, Tianbo Li, Min Lin, Zehcen Tang, Yang Li, Yong Xu, Amrita Joshi, Xiaonan Wang, Leonard W. T. Ng, Sergei V. Kalinin, Mahshid Ahmadi, Jiyizhe Zhang, Shuyuan Zhang, Alexei A. Lapkin, Ming Xiao, Zhe Wu, Kedar Hippalgaonkar, Limsoon Wong, Lorenzo Bastonero, Nicola Marzari, Dorye Luis Esteras Cordoba, Andrei Tomut, Alba Quinones Andrade, Jose-Hugo Garcia
2024 J jnl
Limiting factors in the accuracy of DFT calculation for redox potentials.
J. Comput. Chem.
Bun Chan
2024 J jnl
The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy.
J. Comput. Chem.
Kimihiko Hirao, Takahito Nakajima, Bun Chan, Ho-jin Lee
2022 J jnl
Assessment of DLPNO-CCSD(T)-F12 and its use for the formulation of the low-cost and reliable L-W1X composite method.
J. Comput. Chem.
Bun Chan, Amir Karton
2021 J jnl
Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic-type reactions.
J. Comput. Chem.
Simone L. Waite, Amir Karton, Bun Chan, Alister J. Page
2020 J jnl
Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals.
J. Comput. Chem.
Kimihiko Hirao, Bun Chan, Jong-Won Song, Kamala Bhattarai, Subrata Tewary
2019 J jnl
An ONIOM investigation of the effect of conformation on bond dissociation energies in peptides.
J. Comput. Chem.
Bun Chan, Leo Radom
2019 J jnl
The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method.
J. Comput. Chem.
Bun Chan, Yukio Kawashima, Kimihiko Hirao
2017 J jnl
Correlation functional in screened-exchange density functional theory procedures.
J. Comput. Chem.
Bun Chan, Yukio Kawashima, Kimihiko Hirao
2016 J jnl
On the inclusion of post-MP2 contributions to double-Hybrid density functionals.
J. Comput. Chem.
Bun Chan, Lars Goerigk, Leo Radom
2016 J jnl
Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations.
J. Comput. Chem.
Bun Chan, Jong-Won Song, Yukio Kawashima, Kimihiko Hirao
2015 J jnl
Toward the complete range separation of non-hybrid exchange-correlation functional.
J. Comput. Chem.
Bun Chan, Jong-Won Song, Yukio Kawashima, Kimihiko Hirao