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J

Jiali Gao

shenzhen bay laboratory

82H-index
428Paper Count
2.3WCitation Count
Published Papers 196
Publication Date
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Good Practices for Simulation Studies Published in The Journal of Physical Chemistry B
errThe Journal of Physical Chemistry B
IF2.9
err2026-06-18
err0
errOAAI
errChristophe Chipot; Jiali Gao; Benoît Roux; Ali A. Hassanali; Barbara Kirchner; Joan-Emma Shea
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Local Spectral Formulation of the One-Determines-All (ODA) Principle for Multistate Density Functionals
errThe Journal of Physical Chemistry Letters
IF0
err2026-05-05
err0
PREAI
errJiali Gao; Yangyi Lu
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Modeling Triplet Excited-State Energy Transfer (TEET) via Multistate Density Functional Theory with Nonorthogonal State Interaction (MSDFT–NOSI)
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-26
err0
PREAI
errJiali Gao; Kai Chen; Chenyu Liu
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The scientific legacy of Martin Karplus from the perspective of his collaborators
errBiophysical Journal
IF3.1
err2026-04-01
err0
PREAI
errIoan Andricioaei; Robert B. Best; Robert R. Birge; Stefan Boresch; Axel Brunger; Bernard R. Brooks; Matthias Buck; Rafael Brüschweiler; Amedeo Caflisch; David A. Case; Qiang Cui; Annick Dejaegere; Aaron R. Dinner; Ron Elber; Jeffrey D. Evanseck; Jiali Gao; Hong Guo; Roderick E. Hubbard; John Kuriyan; Diane Joseph-McCarthy
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Innovative inert gas shielding configuration for laser directed energy deposition of titanium alloys
errMaterials Today Communications
IF4.5
err2026-03-01
err0
errOAAI
errGong, Xianxin; Hou, Chunjie; Gao, Jiali; Dong, Qin; Li, Nuo; Hao, Yunbo
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Target State Optimization with Density Functional Theory for Computing K-Edge X-ray Absorption Spectra
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-01
err0
PREAI
errZhu, Hong; Lu, Yangyi; Gao, Jiali; Zhang, Jun
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Structural basis of calcium-dependent C1ql1/BAI3 assemblies in synaptic connectivity
errNature Communications
IF15.7
err2025-12-10
err0
errOAAI
errLiangyu Liao; Ying Han; Fengfeng Niu; Yingjie Wang; Yang Lu; Shun Xu; Houming Zhu; Leishu Lin; Jinman Xiao; Hoi In Tou; Jiali Gao; Bo Zhang; Zhiyi Wei
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Investigation of Deformation Suppression of Synchronous Water-Cooling-Assisted Laser Directed Energy Deposition
errJournal of Materials Engineering and Performance
IF2
err2025-12-01
err0
PREAI
errNiu, Fangyong; Cheng, Haoran; Li, Lu; Huang, Yuanxi; Gao, Jiali; Bai, Qian; Zhao, Danlei; Ma, Guangyi; Wu, Dongjiang; Zhao, Lei
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Path Integral-Free Energy Perturbation (PI-FEP) Simulations: Kinetic Isotope Effects of Proton/Deuteron Transfer Reactions in Aqueous Solution
errWIREs Computational Molecular Science
IF0
err2025-11-09
err0
errOAAI
errJiali Gao; Gavin Shuai Huang; Amber Simon; Elinor Caballero; Kai Chen; Mikayla Z. Fahrenbruch; Dallin Fairbourn; Ian Harreschou; Skyler Kauffman; Calvin Thoma; Marissa D. Zamora
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Laccase Employing Water-Mediated Double-Proton-Coupled Electron Transfer To Achieve the Oxygen Reduction Reaction
errInorganic Chemistry
IF4.7
err2025-10-20
err0
PREAI
errQiong Xie; Mengshi Luo; Mingyan Liu; Yuxin Xie; Di Li; Hongjing Dai; Xiaohua Chen; Jiali Gao
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Multistate Density Functional Theory: Theory, Methods, and Applications
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2025-09-18
err1
errOAAI
errLu, Yangyi; Gao, Jiali
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Function domains and the universal matrix functional of multi-state density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-14
err0
PREAI
errLu, Yangyi; Gao, Jiali
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Method and Implementation of Projected Hybrid Orbitals for Treating Multiple Covalent Bonds in Combined QM/MM Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-26
err0
PREAI
errZhao, Ruoqi; Wang, Yingjie; Gao, Jiali; Zhang, Jun
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Activation of Lattice Oxygen in Nitrogen-Doped High-Entropy Oxide Nanosheets for Highly Efficient Oxygen Evolution Reaction
errACS CATALYSIS
IF13.1
err2024-11-18
err0
PREAI
errGuan, Shengqin; Xu, Baoen; Yu, Xingbo; Ye, Yonghong; Liu, Yuting; Guan, Taotao; Yang, Yu; Gao, Jiali; Li, Kaixi; Wang, Jianlong
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Blueshift or redshift? Effect of hydrogen bonding interactions on the C≡N stretching frequency of 5-cyanoindole
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-27
err3
PREAI
errYang, Yuyao; Zhao, Ruoqi; Zhang, Wenkai; Gao, Jiali; Gai, Feng
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errSave
Structure of Multi-State Correlation in Electronic Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-24
err2
PREAI
errLu, Yangyi; Gao, Jiali
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Current insights and future directions of LncRNA Morrbid in disease pathogenesis
errHELIYON
IF3.6
err2024-09-01
err0
PREAI
errYang, Haiqiong; Gao, Jiali; Zheng, Zaiyong; Yu, Yang; Zhang, Chunxiang
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Engineering Oxygen-Independent NADH Oxidase Integrated with Electrocatalytic FAD Cofactor Regeneration
errJACS AU
IF8.7
err2024-08-21
err0
errOAAI
errHou, Mengjie; Yuan, Jing; Dong, Xinyu; Wang, Yingjie; Yang, Shihe; Gao, Jiali
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First Report of Rust Disease on Alcea rosea Caused by Puccinia modiolae in China
errPLANT DISEASE
IF4.4
err2024-05-01
err0
PREAI
errTan, Leitao; Lu, Minghui; Yu, Yan; Shi, Yiming; Zhao, Xianhui; Chen, Yan; Gao, Jiali; Liu, Qiuping
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Dynamic Changes and Clinical Significance of Plasma Galectin-3 in Patients with Acute Ischemic Stroke Undergoing Endovascular Therapy
errinflammation research
IF4.1
err2024-03-01
err2
errOAAI
errYao, Mingzheng; Liang, Dan; Zeng, Xiuli; Xie, Xiaomei; Gao, Jiali; Huang, Li'an
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Research Directions

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Co-authors
Cooperation Journals
仉华 cover
仉华 (Hua Zhang)
H-index: 205 · Papers: 2.7K
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
M
Martin Karplus
H-index: 167 · Papers: 981
K
K. N. Houk
H-index: 157 · Papers: 2.6K
B
Benoı̂t Roux
H-index: 128 · Papers: 722
View more