Workshop for AI-Powered Materials Discovery at Great Plains

Session

Parallel Session F: Computational and Experimental Approaches to Tunable Materials Properties

Jun 24, 2025, 1:30 PM

MUC Ballroom

Conveners

Parallel Session F: Computational and Experimental Approaches to Tunable Materials Properties

• Chenxu Yu (Iowa State University)

13. The applications of generative adversarial networks (GANs) on the prediction of the material’s microstructure (Invited Talk)

Fei Peng (Clemson University)

6/24/25, 1:30 PM

Automation in AI-Driven Laboratories and Material Discovery

Prediction processing-microstructure-property (PMP) link is critical for material processing, characterization, and discovery. We demonstrate GAN-based machine learning models that can accurately predict PMP relationships, specifically in the prediction of (1) the microstructure of alumina under arbitrary laser power, (2) the expected microstructure from the desired hardness, (3) real-time,...

7. Tuning Soft Magnetic Properties in Fe-Based Nanocrystalline Alloys via Ge Substitution

Paul White (South Dakota School of Mines and Technology)

6/24/25, 2:05 PM

Physics-Informed Machine Learning and Quantum Computing for Advanced Material Design

Tuning Soft Magnetic Properties in Fe-Based Nanocrystalline Alloys via Ge Substitution

Paul White, Department of Physics
Tula R. Paudel, Department of Physics

Soft magnetic materials play a crucial role in modern electrical and electronic devices, with ongoing research focused on enhancing their performance through compositional and structural modifications. In this study, we...

8. Exploring Second-Order Nonlinear Optics in Mono- and Few-Layer 2D Perovskites

Mr Himal Oli (South Dakota School of Mines and Technology)

6/24/25, 2:33 PM

AI Applications in Healthcare, Clean Energy, and Semiconductor Materials

Two-dimensional (2D) perovskites are promising materials for nonlinear optics, photonics, and optoelectronics due to their strong excitonic behavior, quantum confinement, and structural tunability. We investigate second-order nonlinear optical properties of mono- and few-layered (Benzylammonium)2PbX4 (where X = Br, Cl, and I), with our current focus on (Benzylammonium)2PbBr4. Bulk crystals...