Designing an Agentic AI Assistant for Chemical Discovery
- 2025
- IUI 2025
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Evolution of catalysis at IBM: From microelectronics to biomedicine to sustainability with AI-driven innovation
- James Hedrick
- Tim Erdmann
- et al.
- 2025
- ACS Spring 2025
Organic catalysis: enabling functional and biodegradable polycarbonates for drug-resistance solutions
- James Hedrick
- Nathaniel Park
- et al.
- 2025
- ACS Spring 2025
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
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- 2025
- ACS Spring 2025
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- 2025
- ACS Spring 2025
Sample-based quantum diagonalization for electronic structure on quantum-centric supercomputers
- Mario Motta
- 2025
- ACS Spring 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025
Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- Emilio Ashton Vital Brazil
- Priscilla Barreira Avegliano
- et al.
- 2025
- ACS Spring 2025
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- 2025
- ACS Spring 2025