Pranoy Ray

Chicago, Illinois, USA

Pranoy is a Postdoctoral Researcher at the Center for Organic Battery Innovation (COBI), co-advised by Dr. Laura Gagliardi and Dr. Rajeev Assary. As a computational chemist and data scientist, his current work develops data-efficient screening methods to accelerate battery material design and discovery. By integrating physics-based constraints with data-driven models on high-performance computing (HPC) systems, he creates feature engineering workflows that establish robust process-structure-property relationships and directly support physical experiments.

He earned his Ph.D. in Mechanical Engineering in May 2026 from the Georgia Institute of Technology, advised by Dr. Surya R. Kalidindi, where he specialized in molecular structure screening using spatial statistics. Throughout his doctoral research and past projects, he drove key technical deliverables for chemical, semiconductor, and federal lab partners, and successfully led diverse research teams in fast-paced environments.

news

Mar 31, 2026	Recipient of the William H. Glenn Sr. Fellowship
Nov 01, 2025	Journal article on Lean CNNs highlighted by TMS Editors as a 2025 standout article.
Sep 18, 2025	Recipient of the Woodruff School Fellowship @GeorgiaTech.
Jan 12, 2024	Recipient of the Novelis Graduate Scholarship.

selected publications

Molecular Discovery

ML Workflows for Screening Degradation-Relevant Properties of Forever Chemicals

Pranoy Ray, A. Castillo, Manoj Kolel-Veetil, and 1 more author

Advanced Science, Jan 2026

DOI Bib HTML

@article{ray2026pfasworkflows,
  title = {ML Workflows for Screening Degradation-Relevant Properties of Forever Chemicals},
  author = {Ray, Pranoy and Castillo, A. and Kolel-Veetil, Manoj and Kalidindi, Surya R.},
  journal = {Advanced Science},
  year = {2026},
  month = jan,
  pages = {e23817},
  doi = {10.1002/advs.202523817},
}

Optimizing Polymers

Refining Coarse-Grained Molecular Topologies: A Bayesian Optimization Approach

Pranoy Ray, A. P. Generale, N. Vankireddy, and 6 more authors

npj Computational Materials, Jul 2025

DOI Bib HTML PDF

@article{ray2025coarsegrained,
  title = {Refining Coarse-Grained Molecular Topologies: A Bayesian Optimization Approach},
  author = {Ray, Pranoy and Generale, A. P. and Vankireddy, N. and Asoma, Y. and Nakauchi, M. and Lee, H. and Yoshida, K. and Okuno, Y. and Kalidindi, Surya R.},
  journal = {npj Computational Materials},
  volume = {11},
  number = {234},
  year = {2025},
  month = jul,
  doi = {10.1038/s41524-025-01729-9},
}

Alloy Design

Electronic manifolds for extrapolative alloy discovery

Pranoy Ray, S. Bhowmik, P. Suryanarayana, and 2 more authors

Digital Discovery, Jul 2026

Bib HTML PDF

@article{ray2026electronicmanifolds,
  title = {Electronic manifolds for extrapolative alloy discovery},
  author = {Ray, Pranoy and Bhowmik, S. and Suryanarayana, P. and Kalidindi, Surya R. and Medford, Andrew J.},
  journal = {Digital Discovery},
  year = {2026},
  month = jul,
}