Publications

596 results for Accelerated Discovery

Automated Structure Elucidation at Human-Level Accuracy via Multimodal Multitask Language Model
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- SCS Fall Meeting 2025
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 2025
- SCS Fall Meeting 2025
Chemical foundation model-guided design of high ionic conductivity electrolyte formulations
- - Murtaza Zohair
  - Vidushi Sharma
  - et al.
- 2025
- npj Computational Materials
MDLab: AI frameworks for Carbon Capture and Battery Materials
- - Bruce Elmegreen
  - Hendrik Hamann
  - et al.
- 2025
- Frontiers in Environmental Science
Taming the Wild West of Research Computing: How Policies Saved Us a Thousand Headaches
- - Alessandro Pomponio
- 2025
- Cloud Native Dublin 2025
Dynamic Multimodal Fusion for Robust Molecular Representation Learning
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2025
- ACS Fall 2025
Scientific research with AI co-participation in chemistry: Prompt engineering and AI ethical challenges in the scientific discovery process
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2025
- ACS Fall 2025
Raman-spectroscopic evidence of CO2 adsorption in single MOF crystals
- - Matheus Esteves Ferreira
  - Geisa Lima
  - et al.
- 2025
- ACS Fall 2025
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 2025
- ACS Fall 2025
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- ACS Fall 2025