Pushkar Ghanekar
Data aesthete at heart, I am a Ph.D. candidate in the Davidson School of Chemical Engineering at Purdue University, advised by Prof. Jeffrey Greeley.
Understanding molecular-level behavior of the catalyst is at the heart of my Ph.D. research.
Working in close collaboration with experimentalists, at Purdue and beyond, I develop atomic-scale computational models through a combination of chemistry, physics, data science, and machine-learning that capture the essential structure-function properties of the real-world catalyst. These models are used to identify physical/chemical transformations of the catalysts; the impact these transformations have on their catalytic activity, and propose design principles governing the performance of the catalyst. The primary focus of my work is on improving fuel-cell technologies to develop sustainable alternatives to fossil fuel resources for meeting future energy demands.
In addition, I am part of CISTAR - an engineering research center, developing a free web-based tool to estimate, analyze, and compile the hazards associated with setting up a lab-scale chemical reaction. This tools aims to democratize setting up lab-scale experiments and provide a platform to identify likely chemical/operational hazards when doing so. This work is supported by NSF as part of CISTAR consortium and jointly supervised by Purdue Process Safety and Assurance Center (P2SAC)
Besides research, I am passionate about cooking, experimenting with different tastes and textures (link to some latest experiments); love to go down internet rabbit holes, and enjoy long bike rides.
Skills
- Kinetic Modeling
- Catlayst Model Development
- Material Informatics
- Quantitative Structure Property Relationships
- High-throughput screening
- Theory/Experiment Collaborations
- Python
- html/css
- C
- git
- linux
- bash
- beautifulsoup
- selenium
- High Performance Computing
- PyTorch
- Dask
- RAPIDS.ai
- GPU/CUDA
- MATLAB
- VASP
- Aspen Plus
- Adobe Creative Suite
- Blender
- MongoDB
- Docker
Bayesian optimization using Gaussian Processes
End-to-end Machine Learning Project
High throughput perovskite screening
High throughput screening of Materials Project dataset for estimating perovskite bulk stability. For selected candidates, analyze their surface morphology using ab-initio thermodynamic analysis.
Indian spices network analysis
Analyze 6000+ recipes to find relations between spices most frequently used in Indian cuisine.
PyTorch CNN example
Support Vector Machines example
Web scraping IMDB Bollywood data
Scrapped IMDB database to analyze trends in Bollywood movie ratings and release volume over the years
Web scraping S&P 500 data
Publications
List of peer-reviewed articles based on the projects I have been part of.
Journal article - Catalysis at Metal/Oxide Interfaces: Water Gas Shift at Pt/MgO Boundaries
Journal article - Electronic and Structural modification of Pt-V alloy and its consequences for Propane Dehydrogenation Catalysis
Experience
Chemometric & AI Intern
Research and Development intern in Chemometric & AI (M&E) and Cheminformatics (Core R&D) department.
- Applying deep learning method for data-driven prediction and high throughput screening of large molecule datasets with direct application to Dow business R&D.
- Troubleshoot complex manufacturing problems through predictive analytics by developing anomaly detection methodology
Process Engineering Intern
Worked as Process Engineering intern for the Oil & Gas sector. Worked on following projects:
- Designing and optimisation of proprietary LNG liquefaction processes
- Unit Operation design and life-cycle analysis.
Technical Head @ Vortex 2014
Responsible for developing and managing the festival online registration and landing portal. Lead designing of promotion and publicity material. Lead organizer of IDP (Industry Defined Problem), one of the primary events of the festival with approximate audience of 1000.
Formulation R&D Intern
Worked in the manufacturing and formulation department. Handled following projects:
- Mechanical design of chemical equipment.
- Process development for production of APIs (collaborated with the R&D dept.)
Research & Development Intern
Worked as an intern in the manufacturing (R&D) and distribution (supply-chain) facility. Main project was on scaling up manufacturing protocols for an API
Graphic Design Lead @ Freshers 2012
In charge of designing merchandise and promotional media for the festival
Education
Purdue University
Thesis topic: Structural and Kinetic Modeling of Heterogeneous Catalysts Using First-Principles and Machine Learning
Insitute Of Chemical Technology (ICT)
Dr. S. Radhakrishnan International School