Publications

28 results at 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
Talk
Sample-based quantum diagonalization for electronic structure on quantum-centric supercomputers
- - Mario Motta
- 2025
- ACS Spring 2025
Talk
Physics-informed categorization of data modalities used in AI-assisted drug discovery
- - Leili Zhang
- 2025
- ACS Spring 2025
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
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
ML-Guided Engineering to Enhance Cell-Organelle Capacity for Multi-Enzyme Pathway Compartmentalization
- - Jie Shi
  - Jordan Baker
  - et al.
- 2025
- ACS Spring 2025
Talk
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- - Nathaniel Park
  - James Hedrick
- 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
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- - Victor Yukio Shirasuna
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Talk
PFACTS: Faster solutions for forever chemicals
- - Dan Sanders
  - Brandi Ransom
  - et al.
- 2025
- ACS Spring 2025
Talk