Raman Spectrum Prediction from Crystallographic Information with Graph Neural Networks
- 2025
- ACS Fall 2025
Publications
551 results for Accelerated Discovery
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- ACS Fall 2025
Raman-spectroscopic evidence of CO2 adsorption in single MOF crystals
- 2025
- ACS Fall 2025
Improving Polymer Property Predictions with Geometric Information in Equivariant Graph Neural Networks
- Ronaldo Giro
- Thiago Reschutzegger
- 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
AI-driven prediction of monoclonal antibody binding and activity against influenza A virus
- Michal Ozery-Flato
- Ella Barkan
- et al.
- 2025
- ACS Fall 2025
Accelerating LSTM model training through biologically inspired NeuroAI
- 2025
- IJCAI 2025
A sample-based quantum diagonalization framework for periodic solids
- Alan Duriez
- Pamela Costa Carvalho
- et al.
- 2025
- QSim 2025
Learnable Channel Converter for Multi-Spectral Image to RGB Visualization using a Vision-Text Model
- Haoxiang Qiu
- Tomoya Sakai
- et al.
- 2025
- IGARSS 2025
Mode-selective Raman imaging of metal-organic frameworks reveals surface heterogeneities of single HKUST-1 crystals
- Matheus Esteves Ferreira
- Mariana Del Grande
- et al.
- 2025
- ACS Omega