Goverapet Srinivasan S - Search Results

1

High-Throughput Exploration of Ti-V-Nb-Mo Carbide MXenes Using Neural Network Potentials and Their Evaluation as Catalysts for Hydrogen Evolution Reaction.

Mudassir MW, Goverapet Srinivasan S, Mynam M, Rai B. Mudassir MW, et al. Among authors: goverapet srinivasan s. ACS Appl Mater Interfaces. 2025 Jan 8;17(1):1127-1138. doi: 10.1021/acsami.4c16965. Epub 2024 Dec 28. ACS Appl Mater Interfaces. 2025. PMID: 39731567

2

Effects of Segregation on the Catalytic Properties of AgAuCuPdPt High-Entropy Alloy for CO Reduction Reaction.

Dahale C, Goverapet Srinivasan S, Rai B. Dahale C, et al. Among authors: goverapet srinivasan s. ACS Appl Mater Interfaces. 2023 Dec 4. doi: 10.1021/acsami.3c12775. Online ahead of print. ACS Appl Mater Interfaces. 2023. PMID: 38044859

3

Systematic Identification of Atom-Centered Symmetry Functions for the Development of Neural Network Potentials.

Mudassir MW, Goverapet Srinivasan S, Mynam M, Rai B. Mudassir MW, et al. Among authors: goverapet srinivasan s. J Phys Chem A. 2022 Nov 10;126(44):8337-8347. doi: 10.1021/acs.jpca.2c04508. Epub 2022 Oct 27. J Phys Chem A. 2022. PMID: 36300823

4

Applied machine learning for predicting the lanthanide-ligand binding affinities.

Chaube S, Goverapet Srinivasan S, Rai B. Chaube S, et al. Among authors: goverapet srinivasan s. Sci Rep. 2020 Aug 31;10(1):14322. doi: 10.1038/s41598-020-71255-9. Sci Rep. 2020. PMID: 32868845 Free PMC article.

5

Hydration structure and water exchange kinetics at xenotime-water interfaces: implications for rare earth minerals separation.

Roy S, Wu L, Goverapet Srinivasan S, Stack AG, Navrotsky A, Bryantsev VS. Roy S, et al. Among authors: goverapet srinivasan s. Phys Chem Chem Phys. 2020 Apr 15;22(15):7719-7727. doi: 10.1039/d0cp00087f. Phys Chem Chem Phys. 2020. PMID: 32215419

6

Interfacial structure in the liquid-liquid extraction of rare earth elements by phosphoric acid ligands: a molecular dynamics study.

Dwadasi BS , Goverapet Srinivasan S , Rai B . Dwadasi BS , et al. Among authors: goverapet srinivasan s. Phys Chem Chem Phys. 2020 Feb 21;22(7):4177-4192. doi: 10.1039/c9cp05719f. Epub 2020 Feb 10. Phys Chem Chem Phys. 2020. PMID: 32040116

7

Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases.

Jain D, Chaube S, Khullar P, Goverapet Srinivasan S, Rai B. Jain D, et al. Among authors: goverapet srinivasan s. Phys Chem Chem Phys. 2019 Sep 21;21(35):19423-19436. doi: 10.1039/c9cp03240a. Epub 2019 Aug 28. Phys Chem Chem Phys. 2019. PMID: 31460545

8

A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry.

Goverapet Srinivasan S, Shivaramaiah R, Kent PR, Stack AG, Riman R, Anderko A, Navrotsky A, Bryantsev VS. Goverapet Srinivasan S, et al. Phys Chem Chem Phys. 2017 Mar 15;19(11):7820-7832. doi: 10.1039/c7cp00811b. Phys Chem Chem Phys. 2017. PMID: 28262886

9

Thermodynamic, Spectroscopic, and Computational Studies of f-Element Complexation by N-Hydroxyethyl-diethylenetriamine-N,N',N″,N″-tetraacetic Acid.

Grimes TS, Heathman CR, Jansone-Popova S, Bryantsev VS, Goverapet Srinivasan S, Nakase M, Zalupski PR. Grimes TS, et al. Among authors: goverapet srinivasan s. Inorg Chem. 2017 Feb 6;56(3):1722-1733. doi: 10.1021/acs.inorgchem.6b02897. Epub 2017 Jan 24. Inorg Chem. 2017. PMID: 28116904

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