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Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal-Organic Frameworks.

A. Nandy, C. Duan, and H. Kulik. CoRR, (2021)

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Linshu Duan

Mingke Duan

Junrui Duan

Qing Duan

Miyi Duan

Other publications of authors with the same name

Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis.C. Duan, A. Nandy, H. Adamji, Y. Román-Leshkov, and H. Kulik. CoRR, (2022)M2Hub: Unlocking the Potential of Machine Learning for Materials Discovery.Y. Du, Y. Wang, Y. Huang, J. Li, Y. Zhu, T. Xie, C. Duan, J. Gregoire, and C. Gomes. CoRR, (2023)Machine learning to tame divergent density functional approximations: a new path to consensus materials design principles.C. Duan, S. Chen, M. Taylor, F. Liu, and H. Kulik. CoRR, (2021)Two Wrongs Can Make a Right: A Transfer Learning Approach for Chemical Discovery with Chemical Accuracy.C. Duan, D. Chu, A. Nandy, and H. Kulik. CoRR, (2022)Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery.D. Harper, A. Nandy, N. Arunachalam, C. Duan, J. Janet, and H. Kulik. CoRR, (2021)MOFSimplify: Machine Learning Models with Extracted Stability Data of Three Thousand Metal-Organic Frameworks.A. Nandy, G. Terrones, N. Arunachalam, C. Duan, D. Kastner, and H. Kulik. CoRR, (2021)Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials.S. Liu, W. Du, Y. Li, Z. Li, Z. Zheng, C. Duan, Z. Ma, O. Yaghi, A. Anandkumar, C. Borgs and 3 other author(s). CoRR, (2023)Rapid Exploration of a 32.5M Compound Chemical Space with Active Learning to Discover Density Functional Approximation Insensitive and Synthetically Accessible Transitional Metal Chromophores.C. Duan, A. Nandy, G. Terrones, D. Kastner, and H. Kulik. CoRR, (2022)Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model.C. Duan, Y. Du, H. Jia, and H. Kulik. Nat. Comput. Sci., 3 (12): 1045-1055 (2023)Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery.A. Nandy, C. Duan, and H. Kulik. CoRR, (2021)

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Disambiguation of "Duan, Chenru"

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URL
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Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal-Organic Frameworks.

Please choose a person to relate this publication to

Linshu Duan

Mingke Duan

Junrui Duan

Qing Duan

Miyi Duan

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Duan, Chenru"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal-Organic Frameworks.

Please choose a person to relate this publication to

Linshu Duan

Mingke Duan

Junrui Duan

Qing Duan

Miyi Duan

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal-Organic Frameworks.