Publications

8001 results for AI

Open-source large-scale foundation model for chemistry
- 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
Novel LLM-powered assistant facilitating data visualization in research and education
- - Tim Erdmann
  - Holt Bui
  - et al.
- 2025
- ACS Spring 2025
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- - Tiffany Callahan
  - Kevin Cheng
  - et al.
- 2025
- ACS Spring 2025
Study planning assistant: Supporting material discovery with agentic workflows
- - Viviane T. Silva
  - Renato Fontoura de Gusmao Cerqueira
  - et al.
- 2025
- ACS Spring 2025
Constructing an open database of barrier heights for diverse elementary organic reactions
- - Derek Ahneman
  - Brandi Ransom
- 2025
- ACS Spring 2025
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- - Siya Kunde
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Foundation models for materials discovery – current state and future directions
- - Edward Pyzer-knapp
  - Matteo Manica
  - et al.
- 2025
- npj Computational Materials
LionHeart: A Layer-based Mapping Framework for Heterogeneous Systems with Analog In-Memory Computing Tiles
- - Corey Liam Lammie
  - Yuxuan Wang
  - et al.
- 2025
- IEEE TETC
Preparing Good Data for Generative AI: Challenges and Approaches (Good-Data)
- - David Vazquez
  - Laure Berti-equille
  - et al.
- 2025
- AAAI 2025