Modeling and Computation: Expertise in researching, modeling, and deriving key issues in physics, chemistry, and biology. Proficient in literature replication, algorithm design, optimization, and data presentation. Capable of handling both logical/mathematical derivations and data/ML research.
Programming Development: Extensive experience in C/C++/Python/Fortran mixed programming. Regularly use Mathematica and proficient with development/testing tools like CMake, GDB, Catch2, and parallel computing with OpenMP/MPI. Responsible for managing the group’s GitLab, code merging, etc.
Cluster Management: Administrator of the group’s CPU/GPU cluster servers. Proficient in Linux and private server operations, including security, job queue/user management, data backup, and RAID storage management. Participated in internal/external website setup: maintained static websites, deployed DokuWiki, GitLab, Overleaf services, etc. Skilled in HTML/CSS/JS frontend and Apache/PHP backend.
Office Skills: Proficient with various office and design software (PS/AI/Origin/Office) and high-performance computing software compilation, installation, and usage.
Additional: Conference management, coordination, multimedia preparation, contract procurement, financial assistance, promotional and press release writing, academic report notes (Chinese/English), poster and article layout design. Served as a teaching assistant for multiple courses, assisting in teaching and textbook preparation.
Cheng, X.; He, X.; Liu, J. A Novel Class of Phase Space Representations for the Exact Population Dynamics of Two-State Quantum Systems and the Relation to Triangle Window Functions. Chinese Journal of Chemical Physics 2024. https://doi.org/10.1063/1674-0068/cjcp2403033.
He, X.; Cheng, X.; Wu, B.; Liu, J. Nonadiabatic Field with Triangle Window Functions on Quantum Phase Space. J. Phys. Chem. Lett. 2024, 5452–5466. https://doi.org/10.1021/acs.jpclett.4c00793.
Wu, B.; He, X.; Liu, J. Nonadiabatic Field on Quantum Phase Space: A Century after Ehrenfest. J. Phys. Chem. Lett. 2024, 15 (2), 644–658. https://doi.org/10.1021/acs.jpclett.3c03385.
Peng, J.; He, X.; Li, Y.; Guan, J.; Wu, B.; Li, X.; Yu, Z.; Liu, J.; Zheng, J. Restriction of Crossing Conical Intersections: The Intrinsic Mechanism of Aggregation-Induced Emission. Phys. Chem. Chem. Phys. 2023, 25 (17), 12342–12351. https://doi.org/10.1039/D2CP05256C.
Wu, B.; He, X.; Liu, J. Phase Space Mapping Theory for Nonadiabatic Quantum Molecular Dynamics. In Time-Dependent Density Functional Theory; Jenny Stanford Publishing: New York, 2022; pp 405–430. https://doi.org/10.1201/9781003319214-11.
He, X.; Wu, B.; Rivlin, T.; Liu, J.; Pollak, E. Transition Path Flight Times and Nonadiabatic Electronic Transitions. J. Phys. Chem. Lett. 2022, 13 (30), 6966–6974. https://doi.org/10.1021/acs.jpclett.2c01425.
He, X.; Wu, B.; Shang, Y.; Li, B.; Cheng, X.; Liu, J. New Phase Space Formulations and Quantum Dynamics Approaches. WIREs Comput. Mol. Sci. 2022, 12 (6). https://doi.org/10.1002/wcms.1619.
Liu, J.; He, X.; Wu, B. Unified Formulation of Phase Space Mapping Approaches for Nonadiabatic Quantum Dynamics. Accounts of Chemical Research 2021, 54 (23), 4215–4228. https://doi.org/10.1021/acs.accounts.1c00511.
He, X.; Wu, B.; Gong, Z.; Liu, J. Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics. The Journal of Physical Chemistry A 2021, 125 (31), 6845–6863. https://doi.org/10.1021/acs.jpca.1c04429.
He, X.; Gong, Z.; Wu, B.; Liu, J. Negative Zero-Point-Energy Parameter in the Meyer-Miller Mapping Model for Nonadiabatic Dynamics. The Journal of Physical Chemistry Letters 2021, 12 (10), 2496–2501. https://doi.org/10.1021/acs.jpclett.1c00232.
He, X.; Liu, J. A New Perspective for Nonadiabatic Dynamics with Phase Space Mapping Models. The Journal of Chemical Physics 2019, 151 (2), 024105. https://doi.org/10.1063/1.5108736.
Poster at Finanial Conference Centre, Dalian, China
Poster at Hongdao Conference Centre, Qingdao, China
Talk at Hybrid – Chicago, IL and virtua, Hybrid – Chicago, IL and virtua
Poster at Huangshan College & USTC, Huangshan, China
Talk at Jilin University, Department of Chemistry, Changchun, China
Poster at Jilin University, Department of Chemistry, Changchun, China
Poster at National Exhibition and Convention Center (Shanghai), Shanghai, China
Poster at HongKong University, Department of Chemistry, HongKong, China
Tutorial at UC-Berkeley Institute for Testing Science, Berkeley CA, USA