Lindsey RK - Search Results

1

Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions.

Lindsey RK, Goldman N, Fried LE, Bastea S. Lindsey RK, et al. J Chem Phys. 2020 Aug 7;153(5):054103. doi: 10.1063/5.0012840. J Chem Phys. 2020. PMID: 32770892

2

ChIMES: A Force Matched Potential with Explicit Three-Body Interactions for Molten Carbon.

Lindsey RK, Fried LE, Goldman N. Lindsey RK, et al. J Chem Theory Comput. 2017 Dec 12;13(12):6222-6229. doi: 10.1021/acs.jctc.7b00867. Epub 2017 Nov 20. J Chem Theory Comput. 2017. PMID: 29113430

3

Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding.

Goldman N, Aradi B, Lindsey RK, Fried LE. Goldman N, et al. Among authors: lindsey rk. J Chem Theory Comput. 2018 May 8;14(5):2652-2660. doi: 10.1021/acs.jctc.8b00165. Epub 2018 Apr 11. J Chem Theory Comput. 2018. PMID: 29614217

4

Application of the ChIMES Force Field to Nonreactive Molecular Systems: Water at Ambient Conditions.

Lindsey RK, Fried LE, Goldman N. Lindsey RK, et al. J Chem Theory Comput. 2019 Jan 8;15(1):436-447. doi: 10.1021/acs.jctc.8b00831. Epub 2018 Dec 24. J Chem Theory Comput. 2019. PMID: 30474976

5

Synthesis of functionalized nitrogen-containing polycyclic aromatic hydrocarbons and other prebiotic compounds in impacting glycine solutions.

Kroonblawd MP, Lindsey RK, Goldman N. Kroonblawd MP, et al. Among authors: lindsey rk. Chem Sci. 2019 May 21;10(24):6091-6098. doi: 10.1039/c9sc00155g. eCollection 2019 Jun 28. Chem Sci. 2019. PMID: 31360414 Free PMC article.

6

Ultrafast shock synthesis of nanocarbon from a liquid precursor.

Armstrong MR, Lindsey RK, Goldman N, Nielsen MH, Stavrou E, Fried LE, Zaug JM, Bastea S. Armstrong MR, et al. Among authors: lindsey rk. Nat Commun. 2020 Jan 17;11(1):353. doi: 10.1038/s41467-019-14034-z. Nat Commun. 2020. PMID: 31953422 Free PMC article.

7

Active learning for robust, high-complexity reactive atomistic simulations.

Lindsey RK, Fried LE, Goldman N, Bastea S. Lindsey RK, et al. J Chem Phys. 2020 Oct 7;153(13):134117. doi: 10.1063/5.0021965. J Chem Phys. 2020. PMID: 33032434

8

Calculation of the detonation state of HN₃ with quantum accuracy.

Pham CH, Lindsey RK, Fried LE, Goldman N. Pham CH, et al. Among authors: lindsey rk. J Chem Phys. 2020 Dec 14;153(22):224102. doi: 10.1063/5.0029011. J Chem Phys. 2020. PMID: 33317315

9

Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan detonation with a rapidly tuned density functional tight binding model.

Lindsey RK, Bastea S, Goldman N, Fried LE. Lindsey RK, et al. J Chem Phys. 2021 Apr 28;154(16):164115. doi: 10.1063/5.0047800. J Chem Phys. 2021. PMID: 33940855

10

Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields.

Goldman N, Kweon KE, Sadigh B, Heo TW, Lindsey RK, Pham CH, Fried LE, Aradi B, Holliday K, Jeffries JR, Wood BC. Goldman N, et al. Among authors: lindsey rk. J Chem Theory Comput. 2021 Jul 13;17(7):4435-4448. doi: 10.1021/acs.jctc.1c00172. Epub 2021 Jun 15. J Chem Theory Comput. 2021. PMID: 34128678

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