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T-NIKHIL authored Apr 2, 2024
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Project 39 : Divide and Conquer : Local Gaussian Processes to design Covalent Organic Frameworks for Methane Deliverable Capacity
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Authors
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1. Nikhil Kumar Thota (Johns Hopkins University) (https://github.com/T-NIKHIL)
2. Maitreyee Sharma Priyadarshini (Johns Hopkins University) (https://github.com/msharmap)
3. Yiran (Gigi) Wang (Johns Hopkins University) (https://github.com/gigiwang08)
4. Jarett Ren (Johns Hopkins University) (https://github.com/jren0))

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Method
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In this project, we explore the use of local
Gaussian Process models to accelerate materials
discovery when the search spaces are very large.
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![Image not found](schematic.pdf "Workflow of training local GP models")

What to know more click [here](https://youtu.be/iog-07Ekp9g)

References

[1] Mercado, R.; Fu, R.-S.; Yakutovich, A. V.; Talirz, L.; Haranczyk, M.; Smit, B. In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications. Chem. Mater. 2018, 30 (15), 5069–5086. https://doi.org/10.1021/acs.chemmater.8b01425.


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User guide
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5. The results from training the model are located under bo_output

Authors
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Contributors can be found [here](https://github.com/AC-BO-Hackathon/project-localGPs_for_COF/graphs/contributors).

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