Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 3 Good Health and Well-being -
SDG 7 Affordable and Clean Energy -
SDG 13 Climate Action
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Collaborations and top research areas from the last five years
Projects
- 4 Finished
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Biomolecular interactions and enzymatic processes
Gao, J. (PI)
NIH NIGMS NATL INST OF GENERAL
9/5/19 → 7/31/25
Project: Research project
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Simulation of Chemical Processes in Solution using Hybri
Gao, J. (PI) & Song, L. (Other Role)
THE NATIONAL SCIENCE FOUNDATION
2/1/10 → 1/31/13
Project: Research project
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A New Paradigm for Biomolecular Simulations
Gao, J. (PI) & Truhlar, D. G. (CoI)
NIH NIGMS NATL INST OF GENERAL
9/30/09 → 8/31/12
Project: Research project
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Biomolecular Interactions and Enzymatic Processes
Gao, J. (PI)
NIH NIGMS NATL INST OF GENERAL
4/1/00 → 7/31/17
Project: Research project
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CPPCGM: A Highly Efficient Sequence-Based Tool for Simultaneously Identifying and Generating Cell-Penetrating Peptides
Chen, Q., Zhang, Y., Gao, J. & Zhang, J., Apr 14 2025, In: Journal of Chemical Information and Modeling. 65, 7, p. 3357-3369 13 p.Research output: Contribution to journal › Article › peer-review
2 Link opens in a new tab Scopus citations -
Excited-state energy decomposition analysis
Gao, J., Liu, C. & Chen, K., 2025, Annual Reports in Computational Chemistry. Elsevier Ltd, p. 1-22 22 p. (Annual Reports in Computational Chemistry; vol. 21).Research output: Chapter in Book/Report/Conference proceeding › Chapter
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Function domains and the universal matrix functional of multi-state density functional theory
Lu, Y. & Gao, J., Mar 14 2025, In: Journal of Chemical Physics. 162, 10, 104113.Research output: Contribution to journal › Article › peer-review
5 Link opens in a new tab Scopus citations -
Laccase Employing Water-Mediated Double-Proton-Coupled Electron Transfer To Achieve the Oxygen Reduction Reaction
Xie, Q., Luo, M., Liu, M., Xie, Y., Li, D., Dai, H., Chen, X. & Gao, J., Nov 3 2025, In: Inorganic chemistry. 64, 43, p. 21704-21717 14 p.Research output: Contribution to journal › Article › peer-review
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Multistate Density Functional Theory: Theory, Methods, and Applications
Lu, Y. & Gao, J., Sep 1 2025, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 15, 5, e70043.Research output: Contribution to journal › Review article › peer-review
Open Access3 Link opens in a new tab Scopus citations