| Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis P Ghanekar, S Deshpande, J Greeley ChemRxiv, 2021 | 54 | 2021 |
| Origin of Electronic Modification of Platinum in a Pt3V Alloy and Its Consequences for Propane Dehydrogenation Catalysis SC Purdy, P Ghanekar, G Mitchell, AJ Kropf, DY Zemlyanov, Y Ren, ... ACS Applied Energy Materials 3 (2), 1410-1422, 2020 | 52 | 2020 |
| 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, G Mitchell, WN Delgass, F Ribeiro, J Greeley Topics in Catalysis, 2020 | 25 | 2020 |
| Toward improved safety culture in academic and industrial chemical laboratories: an assessment and recommendation of best practices S Ezenwa, AD Talpade, P Ghanekar, R Joshi, J Devaraj, FH Ribeiro, ... ACS Chemical Health & Safety 29 (2), 202-213, 2022 | 17 | 2022 |
| Promoting a safe laboratory environment using the reactive hazard evaluation and analysis compilation tool AD Talpade, P Ghanekar, S Ezenwa, R Joshi, S Kravitz, A Tunga, ... ACS Chemical Health & Safety 28 (2), 134-143, 2021 | 9 | 2021 |
| (Invited) First Principles Treatments of Heterogeneous Electrocatalysis – Reactivity Trends and Electrocatalyst Structure A Morankar, S Deshpande, G Deshmukh, P Ghanekar, Z Zeng, J Greeley Electrochemical Society Meeting Abstracts 245, 2553-2553, 2024 | | 2024 |
| 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, J Greeley | | 2024 |
| Active learning of ternary alloy structures and energies G Deshmukh, NJ Wichrowski, N Evangelou, PG Ghanekar, S Deshpande, ... npj Computational Materials 10 (1), 116, 2024 | | 2024 |
| LillyMol : Cheminformatics toolkit for precise and fast structure search, chemical transforms, and other cheminformatics tasks P Ghanekar, I Watson, X Ru, N Verma, E Harguindey American Chemical Society Spring 2024, 2024 | | 2024 |
| Active Learning Workflow for Discovery of Stable Ternary Alloys from Binary Alloy Data G Deshmukh, NJ Wichrowski, N Evangelou, P Ghanekar, S Deshpande, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Catalysis on Low Dimensional Materials II: Single Atom Catalysts A Shih, P Ghanekar 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Evaluation of Fingerprinting Techniques for Random Forest Classification of Large-Set Reaction Data L Orr, P Ghanekar, T Teague, R Brown, A Godwin 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Bridging the Gap between Simple and Complex Surfaces: A Combined DFT and Transfer Learning-Driven Workflow to Determine Stability of Complex Alloy Catalysts G Deshmukh, P Ghanekar, J Greeley The 27th North American Catalysis Society Meeting, 2022 | | 2022 |
| High Throughput Surface Stability Analysis of Alloy Catalysts Using Density Functional Theory and Machine Learning G Deshmukh, P Ghanekar, J Greeley 2021 AIChE Annual Meeting, 2021 | | 2021 |
| A Combined Graph Theory and Machine Learning Based Method for Estimating Complex Adsorbate Configurations on Model Catalytic Surfaces S Deshpande, P Ghanekar, J Greeley 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Investigation of Morphology and Functionality of Multi-Component Catalyst Using First-Principles and Machine-Learning P Ghanekar Purdue University, 2021 | | 2021 |
| Multi-Scale Modeling of Heterogeneous Catalysts Using First-Principles and Deep Learning P Ghanekar, J Greeley 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Grand Canonical Evolutionary Algorithm-Based Approach for Investigating Catalyst Surface Morphology P Ghanekar, VSC Kolluru, R Hennig, J Greeley 2020 AIChE Annual Meeting, 2020 | | 2020 |
| Graph-based machine learning framework for modeling of complex heterogeneous catalyst surfaces JG Pushkar Ghanekar, Siddharth Deshpande ACS Fall 2021, 2020 | | 2020 |
| Catalysis at Three-Phase Boundaries: First Principles Studies of Reactivity at Metal-Oxide Interfaces J Greeley, P Majumdar, T Choksi, P Ghanekar, C Milligan, G Mitchell, ... 2019 North American Catalysis Society Meeting, 2019 | | 2019 |
Fabio H. RibeiroPurdue University在 purdue.edu 的电子邮件经过验证
