Smit B - Search Results

1

Making the collective knowledge of chemistry open and machine actionable.

Jablonka KM, Patiny L, Smit B. Jablonka KM, et al. Among authors: smit b. Nat Chem. 2022 Apr;14(4):365-376. doi: 10.1038/s41557-022-00910-7. Epub 2022 Apr 4. Nat Chem. 2022. PMID: 35379967 Review.

2

Applicability of Tail Corrections in the Molecular Simulations of Porous Materials.

Jablonka KM, Ongari D, Smit B. Jablonka KM, et al. Among authors: smit b. J Chem Theory Comput. 2019 Oct 8;15(10):5635-5641. doi: 10.1021/acs.jctc.9b00586. Epub 2019 Sep 6. J Chem Theory Comput. 2019. PMID: 31442035 Free PMC article.

3

Data-driven design of metal-organic frameworks for wet flue gas CO₂ capture.

Boyd PG, Chidambaram A, García-Díez E, Ireland CP, Daff TD, Bounds R, Gładysiak A, Schouwink P, Moosavi SM, Maroto-Valer MM, Reimer JA, Navarro JAR, Woo TK, Garcia S, Stylianou KC, Smit B. Boyd PG, et al. Among authors: smit b. Nature. 2019 Dec;576(7786):253-256. doi: 10.1038/s41586-019-1798-7. Epub 2019 Dec 11. Nature. 2019. PMID: 31827290

4

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning.

Jablonka KM, Ongari D, Moosavi SM, Smit B. Jablonka KM, et al. Among authors: smit b. Chem Rev. 2020 Aug 26;120(16):8066-8129. doi: 10.1021/acs.chemrev.0c00004. Epub 2020 Jun 10. Chem Rev. 2020. PMID: 32520531 Free PMC article. Review.

5

Understanding the diversity of the metal-organic framework ecosystem.

Moosavi SM, Nandy A, Jablonka KM, Ongari D, Janet JP, Boyd PG, Lee Y, Smit B, Kulik HJ. Moosavi SM, et al. Among authors: smit b. Nat Commun. 2020 Aug 13;11(1):4068. doi: 10.1038/s41467-020-17755-8. Nat Commun. 2020. PMID: 32792486 Free PMC article.

6

The Role of Machine Learning in the Understanding and Design of Materials.

Moosavi SM, Jablonka KM, Smit B. Moosavi SM, et al. Among authors: smit b. J Am Chem Soc. 2020 Nov 10;142(48):20273-87. doi: 10.1021/jacs.0c09105. Online ahead of print. J Am Chem Soc. 2020. PMID: 33170678 Free PMC article.

7

Bias free multiobjective active learning for materials design and discovery.

Jablonka KM, Jothiappan GM, Wang S, Smit B, Yoo B. Jablonka KM, et al. Among authors: smit b. Nat Commun. 2021 Apr 19;12(1):2312. doi: 10.1038/s41467-021-22437-0. Nat Commun. 2021. PMID: 33875649 Free PMC article.

8

A data-driven perspective on the colours of metal-organic frameworks.

Jablonka KM, Moosavi SM, Asgari M, Ireland C, Patiny L, Smit B. Jablonka KM, et al. Among authors: smit b. Chem Sci. 2020 Dec 28;12(10):3587-3598. doi: 10.1039/d0sc05337f. Chem Sci. 2020. PMID: 34163632 Free PMC article.

9

Using collective knowledge to assign oxidation states of metal cations in metal-organic frameworks.

Jablonka KM, Ongari D, Moosavi SM, Smit B. Jablonka KM, et al. Among authors: smit b. Nat Chem. 2021 Aug;13(8):771-777. doi: 10.1038/s41557-021-00717-y. Epub 2021 Jul 5. Nat Chem. 2021. PMID: 34226703

10

Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening.

Majumdar S, Moosavi SM, Jablonka KM, Ongari D, Smit B. Majumdar S, et al. Among authors: smit b. ACS Appl Mater Interfaces. 2021 Dec 29;13(51):61004-61014. doi: 10.1021/acsami.1c16220. Epub 2021 Dec 15. ACS Appl Mater Interfaces. 2021. PMID: 34910455 Free PMC article.

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