Siddharth Deshpande

Purdue University West Lafayette — United States

Energy · Physical Sciences

14h-index1.8kcitations38works6.52yr avg
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Research Topics

Electrocatalysts for Energy Conversion(16), Machine Learning in Materials Science(12), Catalytic Processes in Materials Science(9), Advancements in Battery Materials(6), Catalysis and Oxidation Reactions(5)

Publications38 total

Intrinsically Bifunctional and Tunable Tungsten Carbide Catalysts Enable Efficient PVC-Compatible Polyolefin Hydrocracking
Journal of the American Chemical Society·2025· 1 cited
<i>(Keynote)</i> First Principles Treatments of Oxygenate Electrooxidation – Structure Sensitivity and Influence of Solvent on Chemically Diverse Elementary Reaction Steps
ECS Meeting Abstracts·2025
Machine Learning Approaches for Tackling Atomic-Scale Surface-Driven Complexities in Heterogeneous Catalysis
Journal of the Indian Institute of Science·2025
Site-Selective Oxide Rearrangement in a Tandem Metal–Metal Oxide Catalyst Improves Selectivity in Oxidative Dehydrogenation of Propane
Journal of the American Chemical Society·2025· 2 citedOpen Access
Graph‐Based High‐Throughput Framework for Screening Selective Propane Dehydrogenation Catalysts
ChemCatChem·2025· 1 citedOpen Access
Author response for "A Structural Similarity based Data-Mining Algorithm for Modeling Multi-Reactant Heterogeneous Catalysts"
2025
A structural similarity based data-mining algorithm for modeling multi-reactant heterogeneous catalysts
Chemical Science·2025· 2 citedOpen Access
(Invited) First Principles Treatments of Oxygenate Electrooxidation – Structure Sensitivity and Influence of Solvent on Chemically Diverse Elementary Reaction Steps
ECS Meeting Abstracts·2024
From theoretical aspects to practical food Pickering emulsions: Formation, stabilization, and complexities linked to the use of colloidal food particles
Advances in Colloid and Interface Science·2024· 27 citedOpen Access
(Invited) First Principles Treatments of Heterogeneous Electrocatalysis – Reactivity Trends and Electrocatalyst Structure
ECS Meeting Abstracts·2024
Active learning of ternary alloy structures and energies
npj Computational Materials·2024· 15 citedOpen Access
Effect of Dynamic and Preferential Decoration of Pt Catalyst Surfaces by WO<sub><i>x</i></sub> on Hydrodeoxygenation Reactions
Journal of the American Chemical Society·2024· 26 cited
A Data and DFT-Driven Framework for Predicting the Microstructure of Submonolayer Inverse Metal Oxide on Metal Catalysts
The Journal of Physical Chemistry Letters·2024· 10 cited
A first principles analysis of potential-dependent structural evolution of active sites in Fe-N-C catalysts
Proceedings of the National Academy of Sciences·2023· 35 citedOpen Access
The role of the metal core in the performance of WOx inverse catalysts
Chem Catalysis·2023· 8 citedOpen Access
Active Learning of Ternary Alloy Structures and Energies
2023· 4 citedOpen Access
Mechanistic Understanding of Ring-Opening of Tetrahydrofurfuryl Alcohol over WO<sub><i>x</i></sub>-Modified Pt Model Surfaces and Powder Catalysts
ACS Catalysis·2023· 14 cited
Highly selective cross ketonization of renewable acids over magnesium oxide
Green Chemistry·2022· 11 citedOpen Access
Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis
Nature Communications·2022· 115 citedOpen Access
Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis
2021· 3 citedOpen Access
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Frequent Co-authors

Jeffrey Greeley(22), Pushkar Ghanekar(6), Zhenhua Zeng(5), Dionisios G. Vlachos(5), Robert E. Warburton(3), Kimberly L. Bassett(3), Andrew A. Gewirth(3), Samji Samira(3), Eranda Nikolla(3), Gaurav Deshmukh(3), Weiqing Zheng(3), Venkatasubramanian Viswanathan(2), Ranga Rohit Seemakurthi(2), Jeffrey T. Miller(2), Ankita Morankar(2), Charles A. Roberts(2), Justin Marlowe(2), Phillip Christopher(2), Noah J. Wichrowski(2), Nikolaos Evangelou(2)