Materials Informatics: AI for Faster Discovery

Abstract

Materials informatics merges materials science with AI and ML to accelerate discovery, reduce costs, and enable autonomous labs. This whitepaper explores how materials informatics is transforming materials discovery, addressing challenges around data quality, model generalization, and interdisciplinary Integration.

Tech Mahindra’s Makers Lab has played a key role in advancing this field through its ecosystem that leverages AI-powered data platforms and simulation tools to drive sustainable, high-impact innovations in materials research.

Advance Modal Components
Explore materials informatics' infusion with new-gen tech

Key Insights

Traditional trial-and-error is too slow. AI-driven informatics accelerates discovery and enables self-driving labs for next-gen materials.

Makers Lab builds AI-powered platforms for data curation, simulation, and generative design, driving sustainable innovation.

Adaptive ML models guide experiments, reducing costs and uncovering breakthrough materials faster than traditional methods.

About the Author
Dr. Rohit Batra
Phd, Assistant Professor at Indian Institute of Technology, Madras
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Dr. Rohit Batra is a leading expert in materials informatics and computational materials science, with a strong focus on AI-driven materials discovery. He has held research positions at Argonne National Laboratory and Georgia Tech and currently serves as Assistant Professor at IIT Madras. His work spans machine learning, polymer informatics, and autonomous laboratories, with several high-impact publications in top scientific journals.

Saikumar B
Group Delivery Head, Hi-Tech Vertical, Tech Mahindra
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Saikumar is a seasoned IT professional with 25+ years of experience in multinational corporations, specializing in delivery, transformation, and leadership. He excels in driving growth, managing portfolios, and achieving exceptional client outcomes. At Tech Mahindra, Saikumar leads global delivery operations for the semiconductor unit, overseeing high-tech client relationships worldwide.Read More

Saikumar is a seasoned IT professional with 25+ years of experience in multinational corporations, specializing in delivery, transformation, and leadership. He excels in driving growth, managing portfolios, and achieving exceptional client outcomes. At Tech Mahindra, Saikumar leads global delivery operations for the semiconductor unit, overseeing high-tech client relationships worldwide. He directs high-performing teams, drives innovation, fosters strategic partnerships, and ensures P&L management and client satisfaction.

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Dr Gautam K Rangan
Project Manager, Hi Tech - D&A, Tech Mahindra

A Scientist, Innovator, entrepreneur, academic and now a delivery professional, Gautam has played diverse roles in the areas of Data Analysis, Marketing and AI. With about 18+ years of experience, he currently serves as the delivery manager for Tech Mahindra’s Data & Analysis practice. He has published extensively with ~30 publications in reputed peer reputed and leading practitioner publications.