Publications

24 results at ACS Fall 2025

Hybrid quantum-classical simulation of periodic materials
- - Rodrigo Neumann Barros Ferreira
  - Alan Duriez
  - et al.
- 2025
- ACS Fall 2025
Talk
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- ACS Fall 2025
Talk
Drug-target binding affinity prediction with docking pose physics
- - Marina Villacampa-fernandez
  - Raúl Fernández Díaz
  - et al.
- 2025
- ACS Fall 2025
Poster
Leveraging multi-textual representation of molecules on a large encoder-decoder foundation models for materials
- - Victor Yukio Shirasuna
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Fall 2025
Poster