Publications
39
Citations
2,012
Est. group size
~2
Recurring co-author estimate
Active years
51
Publishing since 1976
Siddharth Deshpande's research uses computational chemistry and machine learning to understand and design catalysts for energy-related chemical reactions, such as converting biomass-derived molecules into fuels and chemicals, and improving batteries and electrochemical energy conversion. Much of the work combines first-principles simulations (quantum mechanical calculations of atomic-scale processes) with data-driven algorithms to predict catalyst structure and performance under realistic reaction conditions.
Publication output has grown over the last decade, rising from about 1 paper/year in 2017-2018 to a peak of 6-7 papers/year in 2024-2025, with an average of about 4 papers per year over the last five years.
Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026
- Silk-Inspired Design and Manufacturing of Robust Plantymers
Nature Communications · 2026
- 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
- A structural similarity based data-mining algorithm for modeling multi-reactant heterogeneous catalysts
Chemical Science · 2025
- Author response for "A Structural Similarity based Data-Mining Algorithm for Modeling Multi-Reactant Heterogeneous Catalysts"
2025
- Machine Learning Approaches for Tackling Atomic-Scale Surface-Driven Complexities in Heterogeneous Catalysis
Journal of the Indian Institute of Science · 2025
- <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
- 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
- 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
- Active learning of ternary alloy structures and energies
npj Computational Materials · 2024
- 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
- (Invited) First Principles Treatments of Heterogeneous Electrocatalysis – Reactivity Trends and Electrocatalyst Structure
ECS Meeting Abstracts · 2024
- (Invited) First Principles Treatments of Oxygenate Electrooxidation – Structure Sensitivity and Influence of Solvent on Chemically Diverse Elementary Reaction Steps
ECS Meeting Abstracts · 2024
- 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
- 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
- The role of the metal core in the performance of WOx inverse catalysts
Chem Catalysis · 2023
- ECS Meeting Abstracts×6
- Nature Communications×3
- ACS Catalysis×3
- Journal of the American Chemical Society×3
- npj Computational Materials×2
- Jeff Greeley
Energy · Purdue University West Lafayette
- Nannan Shan
Energy · Purdue University West Lafayette
- Hansheng Li
Energy · Purdue University West Lafayette
- Guangqi Zhu
Energy · Purdue University West Lafayette
- Jianguo Wang
Energy · Purdue University West Lafayette
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 20, 2026.
Claim or correct this profile