Sundararaman R - Search Results

1

Improving the reliability of machine learned potentials for modeling inhomogeneous liquids.

Fazel K, Karimitari N, Shah T, Sutton C, Sundararaman R. Fazel K, et al. Among authors: sundararaman r. J Comput Chem. 2024 Apr 25. doi: 10.1002/jcc.27353. Online ahead of print. J Comput Chem. 2024. PMID: 38662330

2

First-principles molten salt phase diagrams through thermodynamic integration.

Shah T, Fazel K, Lian J, Huang L, Shi Y, Sundararaman R. Shah T, et al. Among authors: sundararaman r. J Chem Phys. 2023 Sep 28;159(12):124502. doi: 10.1063/5.0164824. J Chem Phys. 2023. PMID: 38127398

3

Coupled Electromagnetic and Reaction Kinetics Simulation of Super-Resolution Interference Lithography.

Habib A, Vijayamohanan H, Ullal CK, Sundararaman R. Habib A, et al. Among authors: sundararaman r. J Phys Chem B. 2020 Sep 3;124(35):7717-7724. doi: 10.1021/acs.jpcb.0c05194. Epub 2020 Aug 24. J Phys Chem B. 2020. PMID: 32790390

4

Electrochemical Capacitance of CO-Terminated Pt(111) Dominated by the CO-Solvent Gap.

Sundararaman R, Figueiredo MC, Koper MTM, Schwarz KA. Sundararaman R, et al. J Phys Chem Lett. 2017 Nov 2;8(21):5344-5348. doi: 10.1021/acs.jpclett.7b02383. Epub 2017 Oct 20. J Phys Chem Lett. 2017. PMID: 29040805 Free PMC article.

5

Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms.

Maldonado AM, Hagiwara S, Choi TH, Eckert F, Schwarz K, Sundararaman R, Otani M, Keith JA. Maldonado AM, et al. Among authors: sundararaman r. J Phys Chem A. 2021 Jan 14;125(1):154-164. doi: 10.1021/acs.jpca.0c08961. Epub 2021 Jan 4. J Phys Chem A. 2021. PMID: 33393781

6

First-principles electrostatic potentials for reliable alignment at interfaces and defects.

Sundararaman R, Ping Y. Sundararaman R, et al. J Chem Phys. 2017 Mar 14;146(10):104109. doi: 10.1063/1.4978238. J Chem Phys. 2017. PMID: 28298107

7

Resolving the Geometry/Charge Puzzle of the c(2 × 2)-Cl Cu(100) Electrode.

Schwarz K, Groenenboom MC, Moffat TP, Sundararaman R, Vinson J. Schwarz K, et al. Among authors: sundararaman r. J Phys Chem Lett. 2021 Jan 14;12(1):440-446. doi: 10.1021/acs.jpclett.0c03115. Epub 2020 Dec 27. J Phys Chem Lett. 2021. PMID: 33356303 Free PMC article.

8

Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface.

Sundararaman R, Vigil-Fowler D, Schwarz K. Sundararaman R, et al. Chem Rev. 2022 Jun 22;122(12):10651-10674. doi: 10.1021/acs.chemrev.1c00800. Epub 2022 May 6. Chem Rev. 2022. PMID: 35522135 Free PMC article. Review.

9

Interfacial water asymmetry at ideal electrochemical interfaces.

Shandilya A, Schwarz K, Sundararaman R. Shandilya A, et al. Among authors: sundararaman r. J Chem Phys. 2022 Jan 7;156(1):014705. doi: 10.1063/5.0076038. J Chem Phys. 2022. PMID: 34998343

10

The electrochemical interface in first-principles calculations.

Schwarz K, Sundararaman R. Schwarz K, et al. Among authors: sundararaman r. Surf Sci Rep. 2020 May;75(2):10.1016/j.surfrep.2020.100492. doi: 10.1016/j.surfrep.2020.100492. Surf Sci Rep. 2020. PMID: 34194128 Free PMC article.

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