Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- Laura Mismetti
- Marvin Alberts
- et al.
- 2025
- ACS Fall 2025
Publications
3517 results for Materials Discovery
Raman Spectrum Prediction from Crystallographic Information with Graph Neural Networks
- 2025
- ACS Fall 2025
Leveraging multi-textual representation of molecules on a large encoder-decoder foundation models for materials
- 2025
- ACS Fall 2025
Hybrid quantum-classical simulation of periodic materials
- Rodrigo Neumann Barros Ferreira
- Alan Duriez
- et al.
- 2025
- Accelerate Conf 2025
A sample-based quantum diagonalization framework for periodic solids
- Alan Duriez
- Pamela Costa Carvalho
- et al.
- 2025
- QSim 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
Investigating Materials at Nanoscale with AI and Quantum Computing
- 2025
- EB Nanobiossistemas 2025
Effective Media Approximation in Investigating Heat Transfer through Multiple Sandwiched Layers of BEOL Materials
- Amogh Wasti
- Zongmin Yang
- et al.
- 2025
- SHTC 2025
An open-source family of large encoder-decoder foundation models for chemistry
- 2025
- Communications Chemistry
Multi-View Mixture-of-Experts for predicting molecular properties using SMILES, SELFIES, and graph-based representations
- 2025
- Machine Learning: Science and Tech.