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Journal Article
R. Modee, Agarwal, S., Verma, A., Joshi, K., and U. Priyakumar, D., “DART: deep learning enabled topological interaction model for energy prediction of metal clusters and its application in identifying unique low energy isomers”, Physical Chemistry Chemical Physics, vol. 23, no. 38, pp. 21995-22003, 2021.
S. B. Dalavi, Agarwal, S., Deshpande, P., Joshi, K., and Prasad, B. L. V., “Disordered but efficient: understanding the role of structure and composition of the Co-Pt alloy on the electrocatalytic methanol oxidation reaction”, Journal of Physical Chemistry C , vol. 125, no. 14, pp. 7611-7624, 2021.
S. Agarwal and Joshi, K., “Looking beyond adsorption energies to understand interactions at surface using machine learning”, ChemistrySelect, vol. 7, no. 39, p. e202202414, 2022.
S. Mehta, Agarwal, S., Kenge, N., Mekala, S. Prasad, Patil, V., Raja, T., and Joshi, K., “Mixed metal oxide: a new class of catalyst for methanol activation”, Applied Surface Science, vol. 534, p. 147449, 2020.
S. Agarwal, Mehta, S., and Joshi, K., “Understanding the ML black box with simple descriptors to predict cluster-adsorbate interaction energy”, New Journal of Chemistry, vol. 44, no. 20, pp. 8545-8553, 2020.