Publications

8 results at ACS Spring 2024

ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2024
- ACS Spring 2024
Advancing Molecular Property Prediction through Multi-view Latent Space Fusion
- - Eduardo Almeida Soares
  - Akihiro Kishimoto
  - et al.
- 2024
- ACS Spring 2024
DFT calculations: Complexity, stability, and quantum advantage
- - Aleksandros Sobczyk
- 2024
- ACS Spring 2024
Multimodal Transformer models for Structure Elucidation from Spectra
- - Marvin Alberts
  - Alain Vaucher
- 2024
- ACS Spring 2024
Lessons learned in Knowledge Extraction from Unstructured Data with LLMs for Material Discovery
- - Viviane T. Silva
  - João Pedro Gandarela de Souza
  - et al.
- 2024
- ACS Spring 2024
Application of organic catalysis and ring-opening polymerization towards AI-assisted materials discovery
- - James Hedrick
- 2024
- ACS Spring 2024
Integrating ADME-Tox properties of PFAS described in public and private knowledge bases using Wikidata
- - Guilherme Augusto Ferreira Lima
  - Marcelo Machado
  - et al.
- 2024
- ACS Spring 2024
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacement
- - Eduardo Almeida Soares
  - Flaviu Cipcigan
  - et al.
- 2024
- ACS Spring 2024