Foundation Models Enabling Multi-Scale Battery Materials Discovery: From Molecules To DevicesVidushi SharmaAndy Teket al.2025NeurIPS 2025
High-throughput computational analysis of kinetic barriers to ring-closing depolymerization for aliphatic polycarbonatesBrandi RansomRiccardo Bosioet al.2025npj Computational Materials
Evolution of catalysis at IBM: From microelectronics to biomedicine to sustainability with AI-driven innovationJames HedrickTim Erdmannet al.2025ACS Spring 2025
Organic catalysis: enabling functional and biodegradable polycarbonates for drug-resistance solutionsJames HedrickNathaniel Parket al.2025ACS Spring 2025
Enhancing Control and Speed in Anionic Ring-Opening Polymerization: A Continuous-Flow Ap-proach for Rapid, Well-Defined Polymers in MillisecondsTim ErdmannPedro Arrecheaet al.2025ACS Spring 2025
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation ModelsNathaniel ParkJames Hedrick2025ACS Spring 2025
Generative AI and Multi-Agent Systems for Polymer DesignNathaniel ParkTiffany Callahanet al.2025ACS Spring 2025
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional AssistantsTim ErdmannStefan Zecevicet al.2025ACS Spring 2025
Agentic Mixture-of-Workflows for Multi-Modal Chemical SearchTiffany CallahanNathaniel Parket al.2025arXiv
A Large Encoder-Decoder Polymer-Based Foundation ModelEduardo Almeida SoaresNathaniel Parket al.2024NeurIPS 2024