Publications

3516 results for Materials Discovery

Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 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
- - Mathias Steiner
- 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
- - Eduardo Almeida Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- Machine Learning: Science and Tech.
Searching for materials for next-generation on-chip interconnects
- - Meherdad Kiani
  - Alexander C. Tyner
  - et al.
- 2025
- Newton