Publications

43 results for Eduardo Almeida Soares

Representing surfactants by foundation models
- - Eduardo Almeida Soares
  - Zeynep Sumer
  - et al.
- 2025
- ICLR 2025
A Foundation Model for Simulation-Grade Molecular Electron Densities
- - Eduardo Almeida Soares
  - Dmitry Zubarev
  - et al.
- 2025
- ICLR 2025
Generative AI and Multi-Agent Systems for Polymer Design
- - Nathaniel Park
  - Tiffany Callahan
  - et al.
- 2025
- ACS Spring 2025
Modeling electron density grids using a 3D VQ-GAN approach
- - Dmitry Zubarev
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- - Carlos Raoni De Alencar Mendes
  - Leonardo Noia Nanci de Araujo Silva
  - et al.
- 2025
- ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- - Emilio Ashton Vital Brazil
  - Eduardo Almeida Soares
  - et al.
- 2025
- ACS Spring 2025
Open-source large-scale foundation model for chemistry
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- - Victor Yukio Shirasuna
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- - Siya Kunde
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Uncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation Models
- - Siya Kunde
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- AAAI 2025