Publications

85 results for Emilio Vital Brazil

Foundation Models Enabling Multi-Scale Battery Materials Discovery: From Molecules To Devices
- - Vidushi Sharma
  - Andy Tek
  - et al.
- 2025
- NeurIPS 2025
Emergent Pose-Invariance in 3D Molecular Representations via Multimodal Learning
- - Eduardo Almeida Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- NeurIPS 2025
Chemical Foundation Model-Guided Design of High Ionic Conductivity Electrolyte Formulations
- - Murtaza Zohair
  - Vidushi Sharma
  - et al.
- 2025
- npj Computational Materials
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
Leveraging multi-textual representation of molecules on a large encoder-decoder foundation models for materials
- 2025
- ACS Fall 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.
A Mamba-Based Foundation Model for Materials
- 2025
- NPJ AI
A Foundation Model for Simulation-Grade Molecular Electron Densities
- - Eduardo Almeida Soares
  - Dmitry Zubarev
  - et al.
- 2025
- ICLR 2025
Representing surfactants by foundation models
- - Eduardo Almeida Soares
  - Zeynep Sumer
  - et al.
- 2025
- ICLR 2025