Pushkar Ghanekar

Purdue University West Lafayette — United States

Materials Science · Physical Sciences

7h-index279citations13works3.82yr avg
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Research Topics

Machine Learning in Materials Science(8), Electrocatalysts for Energy Conversion(6), Catalytic Processes in Materials Science(5), Advanced Memory and Neural Computing(3), Occupational Health and Safety Research(2)

Publications13 total

Deep Learning for Computational Heterogeneous Catalysis: Fundamentals and Applications
Journal of the Indian Institute of Science·2025· 1 cited
A Combined First-Principles and Data-Driven Computational Framework to Analyze the Surface Structure, Composition, and Stability of Binary Alloy Catalysts
The Journal of Physical Chemistry C·2024· 2 cited
(Invited) First Principles Treatments of Heterogeneous Electrocatalysis – Reactivity Trends and Electrocatalyst Structure
ECS Meeting Abstracts·2024
A combined first-principles and data-driven computational framework to analyze the surface structure, composition, and stability of binary alloy catalysts
2024· 1 citedOpen Access
Active learning of ternary alloy structures and energies
npj Computational Materials·2024· 15 citedOpen Access
Active Learning of Ternary Alloy Structures and Energies
2023· 4 citedOpen Access
Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis
Nature Communications·2022· 115 citedOpen Access
Toward Improved Safety Culture in Academic and Industrial Chemical Laboratories: An Assessment and Recommendation of Best Practices
ACS Chemical Health & Safety·2022· 35 cited
Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis
2021· 3 citedOpen Access
Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis
2021· 12 citedOpen Access
Promoting a Safe Laboratory Environment Using the Reactive Hazard Evaluation and Analysis Compilation Tool
ACS Chemical Health & Safety·2021· 7 cited
Catalysis at Metal/Oxide Interfaces: Density Functional Theory and Microkinetic Modeling of Water Gas Shift at Pt/MgO Boundaries
Topics in Catalysis·2020· 30 cited
Origin of Electronic Modification of Platinum in a Pt<sub>3</sub>V Alloy and Its Consequences for Propane Dehydrogenation Catalysis
ACS Applied Energy Materials·2020· 54 citedOpen Access

Frequent Co-authors

Jeffrey Greeley(11), Siddharth Deshpande(6), Gaurav Deshmukh(6), Fabio H. Ribeiro(4), Garrett M. Mitchell(2), W. Nicholas Delgass(2), Sopuruchukwu Ezenwa(2), Abhijit Talpade(2), Ravi Joshi(2), Jayachandran Devaraj(2), Ray A. Mentzer(2), Noah J. Wichrowski(2), Nikolaos Evangelou(2), Ioannis G. Kevrekidis(2), Stephen C. Purdy(1), A. Jeremy Kropf(1), Dmitry Zemlyanov(1), Yang Ren(1), Jeffrey T. Miller(1), Joseph Kubal(1)