Publications

562 results for Accelerated Discovery

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
Application of organic catalysis and ring-opening polymerization towards AI-assisted materials discovery
- - James Hedrick
- 2024
- ACS Spring 2024
Multimodal Transformer models for Structure Elucidation from Spectra
- - Marvin Alberts
  - Alain Vaucher
- 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
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacement
- - Eduardo Almeida Soares
  - Flaviu Cipcigan
  - et al.
- 2024
- ACS Spring 2024
Satellite Image Analysis by Pre-training Network
- - Daiki Kimura
  - Tatsuya Ishikawa
  - et al.
- 2024
- IPSJ 2024
Computational Materials Discovery for Carbon Dioxide Capture Applications
- - Mathias Steiner
- 2024
- APS March Meeting 2024
CO₂ capillary trapping under varying wettability scenarios
- - Jaione Tirapu Azpiroz
  - Rodrigo Neumann Barros Ferreira
  - et al.
- 2024
- APS March Meeting 2024
Machine-Learning Potentials for Simulating CO₂ Chemisorption
- - Binquan Luan
  - Carine Dos Santos
  - et al.
- 2024
- APS March Meeting 2024
Ultrahigh Vacuum Surface Chemistry for Nanoscale Sensors in Diamond
- - Zhiyang Yuan
  - Lila Rodgers
  - et al.
- 2024
- APS March Meeting 2024