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 | 51 | 2020 |
Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis P Ghanekar, S Deshpande, J Greeley ChemRxiv, 2021 | 40 | 2021 |
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 | 23 | 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 | 15 | 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 | 8 | 2021 |
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 |
Active Learning of Ternary Alloy Structures and Energies G Deshmukh, NJ Wichrowski, N Evangelou, PG Ghanekar, S Deshpande, ... | | 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 |
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 |
Design of Multi-Functional Catalytic Interfaces from First Principles: Modeling Water Gas Shift on Pt/MgO P Ghanekar, J Kubal, Y Cui, G Mitchell, WN Delgass, F Ribeiro, J Greeley 2019 North American Catalysis Society Meeting, 2018 | | 2018 |
Catalysis at Three-Phase Boundaries: First Principles Studies of Reactivity at Metal-Oxide Interfaces P Majumdar, T Choksi, P Ghanekar, C Milligan, G Mitchell, WN Delgass, ... 2018 AIChE Annual Meeting, 2018 | | 2018 |