Pushkar Ghanekar

Research

Publications

My research spans computational chemistry, heterogeneous catalysis, machine learning, and scientific software.

Google Scholar profile · 358 citations (updated September 2026)

Selected publications

  1. Active learning of ternary alloy structures and energies.
    G. Deshmukh, N. J. Wichrowski, N. Evangelou, P. Ghanekar, S. Deshpande, I. G. Kevrekidis, and J. Greeley. npj Computational Materials, 2024. Read paper 24 citations

  2. A combined first-principles and data-driven computational framework to analyze the surface structure, composition, and stability of binary alloy catalysts.
    G. Deshmukh, P. Ghanekar, and J. Greeley. The Journal of Physical Chemistry C, 2024. Read paper 5 citations

  3. Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis.
    P. G. Ghanekar, S. Deshpande, and J. Greeley. Nature Communications, 2022. Read paper · Blog post 147 citations

  4. Toward improved safety culture in academic and industrial chemical laboratories: an assessment and recommendation of best practices.
    S. Ezenwa, A. D. Talpade, P. Ghanekar, et al. ACS Chemical Health & Safety, 2022. 57 citations

  5. Promoting a safe laboratory environment using the Reactive Hazard Evaluation and Analysis Compilation Tool.
    A. D. Talpade, P. Ghanekar, et al. ACS Chemical Health & Safety, 2021. Read paper · Blog post 13 citations

  6. Catalysis at metal/oxide interfaces: density functional theory and microkinetic modeling of water gas shift at Pt/MgO boundaries.
    P. Ghanekar, J. Kubal, Y. Cui, et al. Topics in Catalysis, 2020. Read paper · Blog post 39 citations

  7. Origin of electronic modification of platinum in a Pt3V alloy and its consequences for propane dehydrogenation catalysis.
    S. C. Purdy, P. Ghanekar, et al. ACS Applied Energy Materials, 2020. Read paper · Blog post 67 citations