Designing an Agentic AI Assistant for Chemical Discovery
- Siya Kunde
- Stephanie Houde
- et al.
- 2025
- IUI 2025
Workshop paper
Publications
620 results for Accelerated Discovery
Enhancing Control and Speed in Anionic Ring-Opening Polymerization: A Continuous-Flow Ap-proach for Rapid, Well-Defined Polymers in Milliseconds
- Tim Erdmann
- Pedro Arrechea
- et al.
- 2025
- ACS Spring 2025
Invited talkEvolution of catalysis at IBM: From microelectronics to biomedicine to sustainability with AI-driven innovation
- James Hedrick
- Tim Erdmann
- et al.
- 2025
- ACS Spring 2025
Invited talkOrganic catalysis: enabling functional and biodegradable polycarbonates for drug-resistance solutions
- 2025
- ACS Spring 2025
Invited talkUncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- Emilio Ashton Vital Brazil
- Priscilla Barreira Avegliano
- et al.
- 2025
- ACS Spring 2025
TalkPFACTS: Faster solutions for forever chemicals
- Dan Sanders
- Brandi Ransom
- et al.
- 2025
- ACS Spring 2025
TalkHeterogeneous Multitask Learning Across the Chemical Space
- Thiago Reschutzegger
- Yann Amado
- et al.
- 2025
- ACS Spring 2025
TalkExtracting Electrolyte Design from Interpretable Data-Driven Methods
- 2025
- ACS Spring 2025
TalkChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- 2025
- ACS Spring 2025
TalkNatural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation Models
- Tim Erdmann
- Holt Bui
- et al.
- 2025
- ACS Spring 2025
Talk