Baihua Wu
PostDoc (Boya Felloswhip Program)
Institute of Theoretical and Computational Chemistry
College of Chemistry and Molecular Engineering
Peking University
Beijing 100871, China
Email: wubaihua[AT]pku.edu.cn; wubaihua19[AT]gmail.com
Education/Work Experience
July 2024-present,
PostDoc (Boya Felloswhip Program) in Theoretical Chemistry,
Peking University.
Advisor: Prof. Jian Liu
Sept. 2019-June 2024,
Ph.D. in Theoretical Chemistry,
Peking University.
Advisor: Prof. Jian Liu
Thesis: Phase Space Mapping Approaches for Nonadiabatic Quantum Dynamics
Sept. 2015-June 2019,
B.S. in Chemistry and Mathematics,
University of Science and Technology Beijing.
Advisor: Prof. Feiwu Chen
Research Interests
- Phase space mapping theory of quantum mechanics
- Trajectory-based nonadiabatic dynamics
- Electronic structure theory and its applications
Honors & Awards
- Award for Scientific Research, Peking University, 2023
- CIB Scholarship, Peking University, 2023
- Award for Scientific Poster, Organizing Committee of the 18th Nation Conference on Chemical Dynamics, 2023
- Award for Scientific Oral Presentation, Organizing Committee of the 4rd Frontier Forum for Physical Chemistry Graduates, Peking University, 2022
- CIB Scholarship, Peking University, 2022
- Award for Scientific Research, Peking University, 2022
- Award for Scientific Poster, Organizing Committee of the 17th Nation Conference on Chemical Dynamics, 2022
- Wai Wing Lee Scholarship, Peking University, 2021
- Award for Scientific Research, Peking University, 2021
Publications:
(†: co-first authors; *: corresponding author)
- Xin He, Xiangsong Cheng, Baihua Wu, Jian Liu*, “Nonadiabatic Field with Triangle Window Functions on Quantum Phase Space”, Journal of Physical Chemistry Letters, 2024, 15, 5452-5466 [Link]
- Baihua Wu, Xin He, Jian Liu*, “Nonadiabatic Field on Quantum Phase Space: A Century after Ehrenfest”, Journal of Physical Chemistry Letters, 2024, 15, 644−658 [Link]
- Jie Peng†, Xin He†, Yao Li, Jianxin Guan, Baihua Wu, Xinmao Li, Zhihao Yu, Jian Liu*, Junrong Zheng*, “Restriction of Crossing Conical Intersections: The Intrinsic Mechanism of Aggregation-Induced Emission”, Physical Chemistry Chemical Physics, 2023, 25, 12342 [Link]
- Baihua Wu†, Xin He†, Jian Liu*, “Phase Space Mapping Theory for Nonadiabatic Quantum Molecular Dynamics”, Volume on Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics, Edited by Chaoyuan Zhu, Jenny Stanford Publishing, 2022 [Link]
- Xin He† , Baihua Wu†, Tom Rivlin, Jian Liu*, Eli Pollak*, “Transition Path Flight Times and Nonadiabatic Electronic Transitions”, Journal of Physical Chemistry Letters, 2022, 13, 30, 6966-6974 [Link]
- Xin He†, Baihua Wu†, Youhao Shang, Bingqi Li, Xiangsong Cheng, Jian Liu*, “New Phase Space Formulations and Quantum Dynamics Approaches”, Wiley Interdisciplinary Reviews-Computational Molecular Science, 2022, 12, e1619 [Link]
- Jian Liu*, Xin He, Baihua Wu, “Unified formulation for phase space mapping models for nonadiabatic quantum dynamics”, Accounts of Chemical Research, 2021, 54, 23, 4215–4228 [Link]
- Xin He, Baihua Wu, Zhihao Gong, Jian Liu*, “Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics”, Journal of Physical Chemistry A, 2021, 125, 31, 6845–6863 [Link] [Correction]
- Xin He†, Zhihao Gong†, Baihua Wu, Jian Liu*, “Negative Zero-Point-Energy Parameter in the Meyer–Miller Mapping Model for Nonadiabatic Dynamics”, Journal of Physical Chemistry Letters, 2021, 12, 2496–2501 [Link]
Presentations & Talks
“Phase Space Nonadiabatic Dynamics with Nonadiabatic Field“
Poster. International Workshop on New Advances in Theoretical and Computational Molecular Sciences for Complex and Quantum Processes (TMCQ2024), Seoul, Korea, July 2024
“Nonadiabatic Field“
Oral Presentation. The 34th CCS Congress, Guangzhou, June 2024.
“Phase Space Nonadiabatic Dynamics with Nonadiabatic Field“
Poster. The 5th Frontier Forum for Physical Chemistry Graduates, Beijing, May 2024.
“Comprehensive Phase Space Mapping Model for Nonadiabatic Quantum Dynamics”
Poster. The 18th National Conference on Chemical Dynamics, Dalian, August 2023.
(Scientific Poster)
“Phase Space Mapping Approaches for Nonadiabatic Dynamics“
Poster. The 33rd CCS Congress, Qingdao, June 2023.
“Phase Space Mapping Approaches for Nonadiabatic Dynamics“
Oral Presentation (online format). The 4rd Frontier Forum for Physical Chemistry Graduates, Beijing, November 2022.
(Scientific Presentation) [Video Link]
“Constraint Mapping Phase Space Nonadiabatic Dynamics“
Poster. The 17th National Conference on Chemical Dynamics, Huangshan, August 2022.
(Scientific Poster)
“Novel Phase Space Mapping Approaches for Nonadiabatic Quantum Dynamics“
Oral Presentation (online format). ACS Fall 2022, Chicago, USA, August 2022.
“Nonadiabatic Dynamics Methods Based On Constrained Phase Space Mapping Model“
Poster. The 14th National Conference of Quantum Chemistry, Shanghai, October 2021
Teaching
- TA, Quantum Chemistry, Peking University, 2022 Spring
- TA, Advanced Physical Chemistry, Peking University, 2021 Fall
- TA, Theoretical and Computational Chemistry II, Peking University, 2020 Fall