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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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The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.
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Biomolecular interactions and enzymatic processes
NIH NIGMS NATL INST OF GENERAL
9/5/19 → 7/31/23
Project: Research project
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Simulation of Chemical Processes in Solution using Hybri
Gao, J. & Song, L.
2/1/10 → 1/31/13
Project: Research project
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A New Paradigm for Biomolecular Simulations
NIH NIGMS NATL INST OF GENERAL
9/30/09 → 8/31/12
Project: Research project
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Biomolecular Interactions and Enzymatic Processes
NIH NIGMS NATL INST OF GENERAL
4/1/00 → 7/31/17
Project: Research project
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Origin of Catalysis by Nitroalkane Oxidase
Major, D. T., Gupta, P. K. & Gao, J., Jan 12 2023, In: Journal of Physical Chemistry B. 127, 1, p. 151-162 12 p.Research output: Contribution to journal › Article › peer-review
Open Access -
CARNOT: A Fragment-Based Direct Molecular Dynamics and Virtual-Reality Simulation Package for Reactive Systems
Chen, X., Liu, M. & Gao, J., Mar 8 2022, In: Journal of Chemical Theory and Computation. 18, 3, p. 1297-1313 17 p.Research output: Contribution to journal › Article › peer-review
4 Scopus citations -
Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction Mechanisms
Ji, L., Li, Y., Wang, J., Ning, A., Zhang, N., Liang, S., He, J., Zhang, T., Qu, Z. & Gao, J., 2022, (Accepted/In press) In: Journal of Chemical Information and Modeling. 62, 10Research output: Contribution to journal › Article › peer-review
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Customizing a Coordinative Crab Molecule BCP-3N with Multifunctionality for High-Performance Inverted Perovskite Solar Cells
Wang, G., Xu, R., Zhu, H., Li, Y., Liu, T., Lin, Z., Hu, M., Xing, Z., Gao, J. & Yang, S., Sep 2022, In: Solar RRL. 6, 9, 2200559.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Teale, A. M., Helgaker, T., Savin, A., Adamo, C., Aradi, B., Arbuznikov, A. V., Ayers, P. W., Baerends, E. J., Barone, V., Calaminici, P., Cancès, E., Carter, E. A., Chattaraj, P. K., Chermette, H., Ciofini, I., Crawford, T. D., De Proft, F., Dobson, J. F., Draxl, C., Frauenheim, T., & 50 others, Aug 10 2022, In: Physical Chemistry Chemical Physics. 24, 47, p. 28700-28781 82 p.Research output: Contribution to journal › Article › peer-review
Open Access14 Scopus citations