Modernizing Materials Discovery: The Role of Artificial Intelligence and High-performance Computing
Location
Institute for Advanced Computational Science, IACS Building, Stony Brook University, NY 11794, USA
Event Description
Abstract: The current approach to materials design, driven by strategic experimentation and supported by physics-based simulation across relevant scales, has been the standard for decades. While the theoretical component in this workflow provides valuable understanding of material behavior, it often fails to deliver actionable guidance for implementation. Advances in artificial intelligence and machine learning (AI/ML), together with high-performance computing (HPC), now offer a viable pathway to close this gap and accelerate both discovery and process optimization. This presentation will outline practical approaches for integrating AI/ML with HPC-enabled, high-throughput computation to explore high-dimensional search spaces. Examples will include the development of engineering alloys for extreme environments, the use of neural networks to rapidly improve computational thermodynamic models, and vapor processing optimization for the manufacturing of ultra-high-temperature ceramics. I will highlight how scientific insight and domain expertise remain essential for translating surrogate model predictions into impactful outcomes. Finally, I will conclude with current challenges and future opportunities for AI/HPC-driven materials research.
Speaker: Dongwon Shin
This seminar will be held in person and online
Join Zoom Meeting: https://stonybrook.zoom.us/j/
