Publications

12 results for Krystelle Lionti

Safer materials advisor: Identification and characterization of materials of concerns
- - Viviane T. Silva
  - Kristin Schmidt
  - et al.
- 2026
- ACS Spring 2026
Poster
A Foundation Model for Simulation-Grade Molecular Electron Densities
- - Eduardo Almeida Soares
  - Dmitry Zubarev
  - et al.
- 2025
- ICLR 2025
Workshop paper
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
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
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
Modeling electron density grids using a 3D VQ-GAN approach
- - Dmitry Zubarev
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Talk
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
- - Viviane T. Silva
  - Alexandre Rademaker
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
ChemChat—Recent Advances in Democratizing and Facilitating Access to Domain-Specific AI/ML Through LLM-Powered Conversational Assistants
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2024
- MRS Fall Meeting 2024
Poster
ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2024
- ACS Spring 2024
Talk
ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2024
- Humboldt Colloquium US 2024
Talk