pranoy [at] gatech [dot] edu
gtpranoy [at] gmail [dot] com
Ray is a Computational Materials Scientist and AI/ML Engineer with a dual background in Mechanical Engineering and Computational Science. Specialized in benchmarking and optimizing MLIPs and Bayesian frameworks for materials discovery, while deploying AI workflows (Lean CNNs) on HPC infrastructure. Proven leader of multidisciplinary teams in high-profile R&D projects, driving timelines and deliverables within fast-paced startup and academic environments. Experienced in building diverse teams, resolving root causes, and communicating complex milestones. Innovator with expertise in materials chemistry, molecular simulations, and feature engineering within product-driven Materials Informatics and ICME workflows. Presently, he is a final year doctoral candidate at the MINED Group in GeorgiaTech(advised by Dr. Surya Kalidindi), where he develops transferable and robust material P-S-P (process-structure-property) linkages, with an emphasis on accelerated sampling and uncertainty propagation (UP) + quantification (UQ) methods.
Prior to joining GT, Ray conducted research with the late Dr. Srikumar Banerjee (former Chairman, Department of Atomic Energy, Govt. of India ; Padma Shri - 2005) and Dr. Brahmananda Chakraborty (Scientist H @High Pressure and Synchroton Radiation Physics Division) at the Bhabha Atomic Research Centre in Mumbai (India), where they thereotically discovered materials for efficient solid-state hydrogen storage.
Doctor of Philosophy (PhD) George W. Woodruff School of Mechanical Engineering Georgia Institute of Technology, Atlanta, GA [open] August 2021 - Present Advisor: Dr. Surya R. Kalidindi Research Lab Link: MINED Group Major: Materials Informatics Minor: Management of Technology
Bachelor of Technology (B.Tech) Metallurgical and Materials Engineering National Institute of Technology Durgapur, India[open] July 2016 - June 2020 Graduated with First Class
Defended undergradute thesis "Study of microstructure-property and wear behaviour of hypereutectic Al-17Si alloy" [open] Supervisors : Prof. K.S.Ghosh and Prof. B.K.Show, MME, NIT Durgapur
High School (10+2) Don Bosco School Park Circus, Kolkata, India [open] April 2002 - April 2016 Class 12 Graduated with 95.25% (ISC 2016 - eq. to A Level) Class 10 Graduated with 94.60% (ICSE 2014 - eq. to O Level)
Professional Certifications
Management of Technology (MOT) Scheller College of Business Georgia Institute of Technology, Atlanta, GA [details] May 2025 Support: Federal Funding Agencies Type: Graduate Certificate
Computational Materials Science & Engineering (CMSE) School of Materials Science & Engineering Georgia Institute of Technology, Atlanta, GA [details] May 2023 Support: Federal Funding Agencies Type: Graduate Certificate
Computational Materials Science Summer School (CMS3) Texas A&M University, College Station, TX [details] July 2022 Support: CMS3 2022 Fellow (NSF+TAMU) Type: Summer School Diploma
Research
Journal Publications
Invited Talks
Bayesian frameworks for advanced materials design at the atomistic scale through efficient spatial feature engineering in data-scarce regimes Author(s): Pranoy Ray*, Surya R. Kalidindi Novelis' Global Research and Technology Center (NGRTC) | Kennesaw, GA, USA - October 2024
Bayesian Optimization of CG Topologies: Applications to common polymers Author(s): Pranoy Ray*, Adam P. Generale, Nikhith Vankireddy, Yuichiro Asoma, Masataka Nakauchi, Haein Lee, Katsuhisa Yoshida, Yoshishige Okuno, Surya R. Kalidindi TMS Fall Meeting (MS&T '24) | Pittsburgh, PA, USA - October 2024
Feature engineering of electron charge density fields for building AI/ML models to predict material properties Author(s): Pranoy Ray*, Surya R. Kalidindi 2nd Energy & Informatics International Forum (TokyoTech) | Oahu, HI, USA - December 2022
Conferences & Symposiums
Structure-aware Bayesian optimization for efficient design of disordered alloys Author(s): Pranoy Ray*, Surya R. Kalidindi SES Annual Technical Meeting TALK & POSTER | Details: Atlanta, GA, USA - October 2025
Accelerating Molecular Design with generalizable Bayesian Optimization Author(s): Pranoy Ray*, Surya R. Kalidindi MSE Research Showcase, GeorgiaTech POSTER | Details: Atlanta, GA, USA - October 2024
Ti-doped Carbon Nanostructure as an Efficient Medium for Hydrogen Storage Author(s): Pranoy Ray*, Brahmananda Chakraborty Department of Atomic Energy Computational Chemistry Symposium POSTER | Details: Mumbai, MH, INDIA - November 2019
* Indicates the presenting author
Volunteering & Leadership
Reviewer: CVPR - (Multimodal Learning for Material Science) - Nashville, TN, USA [2025]
Session Chair & Reviewer: Undergraduate Research Symposium, GT, USA [2025]
Reviewer: SciPy Conference - Tacoma, WA, USA [2025]
Reviewer: SciPy Conference - Tacoma, WA, USA [2024]
Reviewer: Springer Nature - Journal of Materials Science [2023]
Reviewer: SciPy Conference - Austin, TX, USA [2023]
Internal VP: Mechanical Engineering Graduate Association (MEGA), GT, USA [2023-24]
Contributor: JARVIS Project, National Institute of Standards (NIST) USA [2021-present]
President: Entrepreneurship Development Cell, NIT Durgapur, India [2016-2020]
Treasurer: Strokes (Art & Photography Club), NIT Durgapur, India [2017-2020]
Contributor: Mozilla Foundation, Kolkata, India [2016-2020]
Awards & Accolades
[2025] Woodruff School Fellow: Impactful Archival Journal Papers published (Atlanta, GA, USA)
◦ Working on an undisclosed Materials Discovery project using AI to surrogate DFT simulations.
◦ Developed proficiency in using HPC protocols to parallelize code structures for optimizing performance on supercomputers.
Data Science Manager / Materials Scientist Multiscale Technologies Inc, Seattle, USA [open] January 2024 to August 2024
◦ Developing AI-based Materials Design workflows for transnational clients
◦ Integrating new and pre-existing workflows in the pursuit of accelerated materials discovery.
Head Teaching Assistant Georgia Institute of Technology, Atlanta, USA [open] January 2023 to May 2023
◦ Completed multiple projects to predict novel materials for efficient Hydrogen Storage using DFT (Density Functional Theory), Bader Charge Ananlysis & AIMD (Ab-Initio Molecular Dynamics) Simulations.
(3 Research Articles Published)
◦ Poster Presented on general work done in BARC at DAE CCS 2019
◦ Prediction of optimal Nuclear Coolant Materials for Molten Salt Reactors The variation of properties of fluoride and chloride salts against various factors & conditions were studied.
Research Intern Indian Institute of Technology Bombay, India [open] July 2020 - Nov 2020
Worked on a Materials Informatics project using the Random Forest - Machine Learning Algorithm in Python. The determination of Mechanical Properties of various binary and ternary alloys with the aid of Materials Informatics and ML-driven approaches was analyzed. [weblink]
Research Intern Indian Institute of Technology Kharagpur, India [open] June 2020 - Oct 2020
◦ Worked on a Phase-Field Modelling project involving DFT & MD Simulations.
◦ Managed Collaborations with Washington University at St. Louis & IIT Kanpur
Project & Industrial Intern Hindustan Aeronautics Limited [open] May 2018 to July 2018
Completed two Projects, namely: [open]
◦ The Identification of Post Investment Casting Defects ◦ Preventive Measures for Quality Control using Lean Management
Undergraduate Research Assistant Physics Department, NIT Durgapur Summer-Winter 2017
Determination of Water Contamination Content Profile in a Steel Plant Belt(Durgapur)- Project completed at the Physics Department, NITD. The determination of the impurity content profile in water and their effect in our daily lives, besides a few other detrimental physical factors were measured, which were further used as inputs to fabricate an experimental anti-polluting membrane.
https://orcid.org/0000-0002-2589-1642