AI-Driven Molecular & Materials Design and Discovery
The Ock Research Group at the University of Nebraska–Lincoln develops artificial intelligence and autonomous systems to accelerate molecular and materials innovation. We focus on AI-driven design, autonomous discovery, and scalable modeling approaches to transform how new molecules and materials are created.
Highlights
Our Research
The Ock Research Group pushes the frontier of AI-driven materials and molecular design and discovery. Our work spans catalysts, metal–organic frameworks, functional molecules, and beyond, all with the aim of advancing global sustainability.
Our core interests include:
- Autonomous Agents for Materials and Molecular Design
- Foundation Models for Chemical Experimental Data
- AI-Accelerated Quantum Chemistry Simulations
Our Publications
Discover our latest research in AI-driven molecular and materials design, autonomous discovery, and data analysis.
Our Team
We are a team of enthusiastic researchers pushing the frontier of AI for molecular and materials design and discovery. We cultivate an inclusive research environment and value diversity as a key driver of innovation.