Publications

632 results for Accelerated Discovery

A new framework for evaluating machine learning in biochemistry and its application for small molecules and peptides
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2025
- IRB-AI-DD 2025
Poster
Designing an Agentic AI Assistant for Chemical Discovery
- - Siya Kunde
  - Stephanie Houde
  - et al.
- 2025
- IUI 2025
Workshop paper
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
Invited talk
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 talk
Organic catalysis: enabling functional and biodegradable polycarbonates for drug-resistance solutions
- - James Hedrick
  - Nathaniel Park
  - et al.
- 2025
- ACS Spring 2025
Invited talk
ML-Guided Engineering to Enhance Cell-Organelle Capacity for Multi-Enzyme Pathway Compartmentalization
- - Jie Shi
  - Jordan Baker
  - et al.
- 2025
- ACS Spring 2025
Talk
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
Talk
Generative AI and Multi-Agent Systems for Polymer Design
- - Nathaniel Park
  - Tiffany Callahan
  - et al.
- 2025
- ACS Spring 2025
Talk
Comparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery Domain
- - Viviane T. Silva
  - Anaximandro Souza
  - et al.
- 2025
- ACS Spring 2025
Talk
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2025
- ACS Spring 2025
Talk