Materials Discovery

Materials discovery driven by AI and computation to unlock accessible and transformative solutions to global challenges. For example, research teams will tap into AI to investigate potential new materials for applications like affordable and sustainable energy generation and storage and more environmentally-friendly electronics and transportation materials.

Additionally, scientists and students will explore how AI can enable new, accelerated and autonomous discovery of molecular materials.

Current Research Projects

Illinois Faculty IBM Technical Leads 


Jackson, Nick; Schroeder, Charles Manica, Matteo  A Multi-Task Foundation Model for Polymeric Materials Design via the Open Macromolecular Genome
Su, Xiao; Zhai, Chengxiang; Han, Jiawei; Shukla, Diwakar De Mel, Geeth; Elkaref, Mohab; Na, Young-Hye; Steiner, Mathias; Giammona, Max; Ferreira, Rodrigo Neumann Barros  Novel large language model based AI-driven accelerated discovery of sustainable materials
Zhao, Huimin;  Manica, Matteo 

Foundation models for generating faithful retrosynthetic reactions and experimental procedures

Click here to see completed projects