Moosavi SM - Search Results

1

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: moosavi sm. Nature. 2019 Dec;576(7786):253-256. doi: 10.1038/s41586-019-1798-7. Epub 2019 Dec 11. Nature. 2019. PMID: 31827290

2

Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.

Boyd PG, Moosavi SM, Witman M, Smit B. Boyd PG, et al. Among authors: moosavi sm. J Phys Chem Lett. 2017 Jan 19;8(2):357-363. doi: 10.1021/acs.jpclett.6b02532. Epub 2017 Jan 3. J Phys Chem Lett. 2017. PMID: 28008758 Free PMC article.

3

Quantifying similarity of pore-geometry in nanoporous materials.

Lee Y, Barthel SD, Dłotko P, Moosavi SM, Hess K, Smit B. Lee Y, et al. Among authors: moosavi sm. Nat Commun. 2017 May 23;8:15396. doi: 10.1038/ncomms15396. Nat Commun. 2017. PMID: 28534490 Free PMC article.

4

High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites.

Lee Y, Barthel SD, Dłotko P, Moosavi SM, Hess K, Smit B. Lee Y, et al. Among authors: moosavi sm. J Chem Theory Comput. 2018 Aug 14;14(8):4427-4437. doi: 10.1021/acs.jctc.8b00253. Epub 2018 Jul 30. J Chem Theory Comput. 2018. PMID: 29986145 Free PMC article.

5

Improving the Mechanical Stability of Metal-Organic Frameworks Using Chemical Caryatids.

Moosavi SM, Boyd PG, Sarkisov L, Smit B. Moosavi SM, et al. ACS Cent Sci. 2018 Jul 25;4(7):832-839. doi: 10.1021/acscentsci.8b00157. Epub 2018 Jun 20. ACS Cent Sci. 2018. PMID: 30062111 Free PMC article.

6

Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited.

Braun E, Moosavi SM, Smit B. Braun E, et al. Among authors: moosavi sm. J Chem Theory Comput. 2018 Oct 9;14(10):5262-5272. doi: 10.1021/acs.jctc.8b00446. Epub 2018 Sep 10. J Chem Theory Comput. 2018. PMID: 30075070

7

Generating carbon schwarzites via zeolite-templating.

Braun E, Lee Y, Moosavi SM, Barthel S, Mercado R, Baburin IA, Proserpio DM, Smit B. Braun E, et al. Among authors: moosavi sm. Proc Natl Acad Sci U S A. 2018 Aug 28;115(35):E8116-E8124. doi: 10.1073/pnas.1805062115. Epub 2018 Aug 14. Proc Natl Acad Sci U S A. 2018. PMID: 30108146 Free PMC article.

8

Biporous Metal-Organic Framework with Tunable CO₂/CH₄ Separation Performance Facilitated by Intrinsic Flexibility.

Gładysiak A, Deeg KS, Dovgaliuk I, Chidambaram A, Ordiz K, Boyd PG, Moosavi SM, Ongari D, Navarro JAR, Smit B, Stylianou KC. Gładysiak A, et al. Among authors: moosavi sm. ACS Appl Mater Interfaces. 2018 Oct 24;10(42):36144-36156. doi: 10.1021/acsami.8b13362. Epub 2018 Oct 11. ACS Appl Mater Interfaces. 2018. PMID: 30247880 Free PMC article.

9

Capturing chemical intuition in synthesis of metal-organic frameworks.

Moosavi SM, Chidambaram A, Talirz L, Haranczyk M, Stylianou KC, Smit B. Moosavi SM, et al. Nat Commun. 2019 Feb 1;10(1):539. doi: 10.1038/s41467-019-08483-9. Nat Commun. 2019. PMID: 30710082 Free PMC article.

10

Ab Initio Flexible Force Field for Metal-Organic Frameworks Using Dummy Model Coordination Bonds.

Jawahery S, Rampal N, Moosavi SM, Witman M, Smit B. Jawahery S, et al. Among authors: moosavi sm. J Chem Theory Comput. 2019 Jun 11;15(6):3666-3677. doi: 10.1021/acs.jctc.9b00135. Epub 2019 May 22. J Chem Theory Comput. 2019. PMID: 31082258

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