Research Experience
Multimodal AI Framework for High-Temperature Superconductors
July 2024 - Present
- Collaborating with Dr. Ahmed Ragab from Polytechnique Montreal on developing a multimodal AI framework for predicting candidate high-temperature superconductors
- Proposed a methodology integrating diverse data modalities like structural and compositional data to predict critical temperature (Tc)
- Leveraged datasets such as SuperCon, Materials Project, ICSD, and Google’s GNoME dataset for building robust predictive models
- Developing custom encoders (e.g., GNNs for crystal structures, CNNs for phase diagrams) and multimodal integration techniques involving these encoders
- Exploring generative models for proposing new high-Tc materials, followed by validation through DFT methods and experimental collaboration
- Research Poster presented at NeurIPS 2024 Tackling Climate Change with Machine Learning Workshop (Link)
Hybrid Modeling using Physics Informed Neural Networks
Jan 2023 - Present
- Advisors: Prof. Richard Braatz, Prof. John R Williams, MIT
- Collaborating with Dow Inc. (for industrial data) to build hybrid models for chemical processes
- Working on modeling nonlinear processes like pH control, catalyst deactivation, and convective mass transfer
- Incorporating physical constraints while optimizing process conditions using neural networks and other ML models
- Manuscript under review by funding agency
Evaluating Machine Learned Interatomic Potentials for Disordered Rocksalts
Aug 2020 - Aug 2022
- Advisor: Prof. Sai Gautam Gopalakrishnan, Indian Institute of Science
- Analyzed the effects of dataset size and complexity on machine learning model training times
- Compared different machine-learned interatomic potential models on disordered materials (DRX) datasets
- Set-up and performed Density Functional Theory (DFT) calculations on 11,000+ cathode structures composed of 11 unique elements
- Conducted hyperparameter optimization on all ML models used
- Work accepted for Oral presentation at Materials Research Society (MRS) Spring Meet 2022
- Published in Journal of Chemical Theory and Computation, 2024 (Link)
Detection and Tracking of Grain Boundaries in Polycrystalline Materials Using Scanning Transmission Electron Microscopy
May 2020 - July 2020
- Microscopy Society of America, Undergraduate Research Scholarship
- Research at University of California, Irvine (Did not happen due to COVID-19 travel and work restrictions)
Superlattices of covalently cross-linked 2D materials for the hydrogen evolution reaction
May 2019 - July 2019
- Advisor: Prof. CNR Rao, FRS, JNCASR
- Studied synthesis methods for 2D materials (Phosphorene, MoS2, Graphene)
- Optimized functionalization of Phosphorene and synthesized covalent cross-links between Phosphorene with MoS2 and Graphene
- Used Raman spectra, SEM, and TEM to confirm cross-linking between layers
- Work published in APL Materials, 2020 (Link)
Effect of Porosity in CoCrMo and SS316L Additively Manufactured Superalloys
May 2018 - July 2018
- Industry Internship Advisor: Dr. Dheepa Srinivasan, Intech Additive Solutions
- Analyzed implant materials: Cobalt and Steel-based alloys for osteo-integration characteristics vs. strength
- Evaluated ways to improve mechanical properties by modifying 3D printing parameters
- Key skills learnt: Metallography, Microhardness, XRD, Optical Imaging, small-scale mechanical testing
- Won Best Poster and Metallography Award at the 31st Annual MTE Department Symposium, IISc