Kent PRC - Search Results

1

Investigating the Accuracy of Water Models through the Van Hove Correlation Function.

Matsumoto RA, Thompson MW, Vuong VQ, Zhang W, Shinohara Y, van Duin ACT, Kent PRC, Irle S, Egami T, Cummings PT. Matsumoto RA, et al. Among authors: kent prc. J Chem Theory Comput. 2021 Oct 12;17(10):5992-6005. doi: 10.1021/acs.jctc.1c00637. Epub 2021 Sep 13. J Chem Theory Comput. 2021. PMID: 34516134

2

Role of polytetrahedral structures in the elongation and rupture of gold nanowires.

Iacovella CR, French WR, Cook BG, Kent PR, Cummings PT. Iacovella CR, et al. ACS Nano. 2011 Dec 27;5(12):10065-73. doi: 10.1021/nn203941r. Epub 2011 Nov 4. ACS Nano. 2011. PMID: 22040227

3

Reactive Force Field Study of Li/C Systems for Electrical Energy Storage.

Raju M, Ganesh P, Kent PR, van Duin AC. Raju M, et al. J Chem Theory Comput. 2015 May 12;11(5):2156-66. doi: 10.1021/ct501027v. J Chem Theory Comput. 2015. PMID: 26574418

4

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods.

Ganesh P, Kim J, Park C, Yoon M, Reboredo FA, Kent PR. Ganesh P, et al. J Chem Theory Comput. 2014 Dec 9;10(12):5318-23. doi: 10.1021/ct500617z. Epub 2014 Nov 17. J Chem Theory Comput. 2014. PMID: 26583215

5

Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces.

Osti NC, Naguib M, Ostadhossein A, Xie Y, Kent PR, Dyatkin B, Rother G, Heller WT, van Duin AC, Gogotsi Y, Mamontov E. Osti NC, et al. ACS Appl Mater Interfaces. 2016 Apr 13;8(14):8859-63. doi: 10.1021/acsami.6b01490. Epub 2016 Mar 30. ACS Appl Mater Interfaces. 2016. PMID: 27010763

6

Computational Insights into Materials and Interfaces for Capacitive Energy Storage.

Zhan C, Lian C, Zhang Y, Thompson MW, Xie Y, Wu J, Kent PRC, Cummings PT, Jiang DE, Wesolowski DJ. Zhan C, et al. Among authors: kent prc. Adv Sci (Weinh). 2017 Apr 24;4(7):1700059. doi: 10.1002/advs.201700059. eCollection 2017 Jul. Adv Sci (Weinh). 2017. PMID: 28725531 Free PMC article. Review.

7

Quantum Many-Body Effects in Defective Transition-Metal-Oxide Superlattices.

Santana JA, Mishra R, Krogel JT, Borisevich AY, Kent PRC, Pantelides ST, Reboredo FA. Santana JA, et al. Among authors: kent prc. J Chem Theory Comput. 2017 Nov 14;13(11):5604-5609. doi: 10.1021/acs.jctc.7b00483. Epub 2017 Oct 6. J Chem Theory Comput. 2017. PMID: 28933845

8

In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides.

Sang X, Xie Y, Yilmaz DE, Lotfi R, Alhabeb M, Ostadhossein A, Anasori B, Sun W, Li X, Xiao K, Kent PRC, van Duin ACT, Gogotsi Y, Unocic RR. Sang X, et al. Among authors: kent prc. Nat Commun. 2018 Jun 11;9(1):2266. doi: 10.1038/s41467-018-04610-0. Nat Commun. 2018. PMID: 29891836 Free PMC article.

9

Importance of Nuclear Quantum Effects on Aqueous Electrolyte Transport under Confinement in Ti₃C₂ MXenes.

Ganeshan K, Khanal R, Muraleedharan MG, Hellström M, Kent PRC, Irle S, van Duin ACT. Ganeshan K, et al. Among authors: kent prc. J Chem Theory Comput. 2022 Nov 8;18(11):6920-6931. doi: 10.1021/acs.jctc.2c00771. Epub 2022 Oct 21. J Chem Theory Comput. 2022. PMID: 36269878

10

Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors.

Lin X, Tee SR, Kent PRC, Searles DJ, Cummings PT. Lin X, et al. Among authors: kent prc. J Chem Theory Comput. 2024 Jan 23;20(2):651-664. doi: 10.1021/acs.jctc.3c00940. Epub 2024 Jan 11. J Chem Theory Comput. 2024. PMID: 38211325 Free PMC article.

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