Publications

635 results for Accelerated Discovery

Dynamic Fusion for a Multimodal Foundation Model for Materials
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2025
- ICLR 2025
Workshop paper
Large Language Models and Foundation Models for Materials Science
- - Jason Hattrick - Simpers
  - Indra Priyadarsini S
  - et al.
- 2025
- MRS Spring 2025
Tutorial
Molecular Modelling in Bioactive Peptide Discovery and Characterisation
- - Clement Agoni
  - Raúl Fernández Díaz
  - et al.
- 2025
- Molecules
Review
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
Organic catalysis: enabling functional and biodegradable polycarbonates for drug-resistance solutions
- - James Hedrick
  - Nathaniel Park
  - et al.
- 2025
- ACS Spring 2025
Invited talk
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
Natural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation Models
- - Tim Erdmann
  - Holt Bui
  - et al.
- 2025
- ACS Spring 2025
Talk
Automated tools for FAIRness assessment considering Chemical Digital Objects
- - Leonardo Guerreiro Azevedo
  - Viviane T. Silva
  - et al.
- 2025
- ACS Spring 2025
Talk