Publications

3491 results for Materials Discovery

Designing an Agentic AI Assistant for Chemical Discovery
- - Siya Kunde
  - Stephanie Houde
  - et al.
- 2025
- IUI 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025
PFACTS: Faster solutions for forever chemicals
- - Dan Sanders
  - Brandi Ransom
  - et al.
- 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
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
Generative AI and Multi-Agent Systems for Polymer Design
- - Nathaniel Park
  - Tiffany Callahan
  - et al.
- 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
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- - Nathaniel Park
  - James Hedrick
- 2025
- ACS Spring 2025
GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- - Carlos Raoni De Alencar Mendes
  - Leonardo Noia Nanci de Araujo Silva
  - et al.
- 2025
- ACS Spring 2025