Publications

24843 results for Exploratory Science

Physics-informed categorization of data modalities used in AI-assisted drug discovery
- - Leili Zhang
- 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
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- - Nathaniel Park
  - James Hedrick
- 2025
- ACS Spring 2025
Talk
PFACTS: Faster solutions for forever chemicals
- - Dan Sanders
  - Brandi Ransom
  - 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
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
Sample-based quantum diagonalization for electronic structure on quantum-centric supercomputers
- - Mario Motta
- 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
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- - Siya Kunde
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Poster
Constructing an open database of barrier heights for diverse elementary organic reactions
- - Derek Ahneman
  - Brandi Ransom
- 2025
- ACS Spring 2025
Poster