Publications

3552 results for Materials Discovery

Heterogeneous Multitask Learning Across the Chemical Space
- - Thiago Reschutzegger
  - Yann Amado
  - et al.
- 2025
- ACS Spring 2025
Talk
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
Talk
Modeling electron density grids using a 3D VQ-GAN approach
- - Dmitry Zubarev
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Talk
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2025
- ACS Spring 2025
Talk
PFACTS: Faster solutions for forever chemicals
- - Dan Sanders
  - Brandi Ransom
  - et al.
- 2025
- ACS Spring 2025
Talk
Generative AI and Multi-Agent Systems for Polymer Design
- - Nathaniel Park
  - Tiffany Callahan
  - et al.
- 2025
- ACS Spring 2025
Talk
Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- - Emilio Ashton Vital Brazil
  - Priscilla Barreira Avegliano
  - et al.
- 2025
- ACS Spring 2025
Talk
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- - Nathaniel Park
  - James Hedrick
- 2025
- ACS Spring 2025
Talk
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
Talk
Open-source large-scale foundation model for chemistry
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Talk