The Symposium on AI/ML & Multiscale Modeling for Materials Discovery of Structural & Functional Applications will bring together leading researchers, industry experts, and students to explore the latest advancements in AI-aided materials engineering. The symposium will focus on integrating Artificial Intelligence (AI), Machine Learning (ML), and multiscale modeling techniques across various length scales, including atomistic simulations (Density Functional Theory, Molecular Dynamics), mesoscale modeling (Phase-field methods), continuum-scale approaches (Finite Element Methods), reduced-order modeling, and component-level simulations. By bridging these scales, the symposium aims to accelerate materials discovery, optimize performance, and enhance the design of next-generation structural and functional materials.
The event will feature keynote talks, technical sessions, panel discussions, hands-on workshops, and student poster sessions, providing participants with a unique opportunity to engage with experts in the field. The hands-on workshops will allow students and early-career researchers to gain practical experience with AI/ML-driven computational tools for materials modeling and simulation. Additionally, a poster session will provide students with a platform to showcase their research, receive feedback from experts, and network with fellow researchers.
This symposium offers a dynamic environment for knowledge exchange, interdisciplinary collaboration, and industry-academia partnerships. Whether you are an experienced researcher or a student eager to explore exploration of AI/ML and computational methods in materials science and engineering, this event will serve as a valuable platform to learn, share ideas, and contribute to the future of accelerating materials discovery.
Prof. S. Vikrant Karra
Prof. N S Harsha Gunda

Prof. S. Vikrant Karra
Assistant Professor, IIT Delhi
(Organizer)

Prof. N S Harsha Gunda
Assistant Professor, IIT Delhi
(Co-Organizer)

Shri Deepak Jain
IIM Delhi Chapter
(Co-Organizer)
Focus Areas:
• Integration of Artificial Intelligence (AI) & Machine Learning (ML) in Materials research
• Multi-scale Modeling Technique spanning various length scales: Atomistic Simulation-DFT, MD; Continuum-Scale Approaches- FEM; Mesoscale Modeling- Phase-Field Methods
• Accelerating Material Discovery & Performance Optimization
• Designing Next-Gen Structural & Functional Materials
Who can attend:
• Researchers & Academicians – Experts in Materials Engineering, Mechanical
Engineering, Applied Mechanics, Energy Engineering, Physics, and Chemistry
• Students & Early Career Researchers – Those working on AI-driven materials discovery, multiscale simulations, and computational modeling
• Industry Professionals & Startups – Innovators in Advanced Materials, Manufacturing, Energy Storage, and Computational Science
• Government & Policy Makers – Those shaping the future of AI in materials research and industrial applications

Prof. P. C. Kapur

Prof. Indranil Manna
Vice-Chancellor BIT Mesra
Date: 26-27 April, 2025
Time: 8:30 AM to 6 PM
Venue: Research and Innovation Park, IITD, Hauz Khas, New Delhi, India-110016
How to reach the venue?
Direct cab to R&I Park, IITD is available
Nearest metro station is IIT (Magenta Line), then you have to walk for 15 minutes
R&I Park's location is available on google maps, you can just follow it if you are coming via personal vehicle
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