Workshop for AI-Powered Materials Discovery at Great Plains

Session

Parallel Session G: AI and Data-Driven Design of Functional Materials and Interfaces

Jun 24, 2025, 1:30 PM

Room 216 MUC

Conveners

Parallel Session G: AI and Data-Driven Design of Functional Materials and Interfaces

• Chaoyang Jiang

69. The use of AI in fracture and damage mechanics

Prof. Florin Bobaru (University of Nebraska-Lincoln)

6/24/25, 3:02 PM

In this talk I will discuss efforts of using AI systems to predict fracture and damage. Being able to predict material degradation, and in particular fracture and failure, has been a challenging endeavor for many decades. Dynamic fracture in brittle materials, in particular, has been shown to exhibit a distinct behavior that differs from what analytical theories predict. For example, Linear...

14. Gradient Boosting Regression Models for Predicting Fouling Release Performance Based on PDMS and SBMA Molecular Weights

Gerardo Casanola (North Dakota State University)

The Role of LLMs, Scientific ML, and Data-Driven Approaches in Materials Innovation

Fouling release performance is a critical factor in marine coatings, influencing their effectiveness in preventing biofouling. In this study, Gradient Boosting Regressor (GBM) models were developed to predict fouling release properties based on experimental data for assays performed for C. lytica at 10 psi and 20 psi and N. incerta at 20 psi. The coating systems analyzed consisted of SBMA...

29. High-Throughput Calculations of Phase Change Materials for Energy-Efficient Computing

Gabriella Townsley (University of Kansas)

The Role of LLMs, Scientific ML, and Data-Driven Approaches in Materials Innovation

Phase change materials (PCMs), which can be reversibly switched between their high-resistance and low-resistance phases, are promising for non-volatile, high-density data storage and research in non-von Neumann computing architectures. Recent discovery and development of novel PCM superlattices consisting of various layers have demonstrated unprecedented low power and high-density at...