Publications

3493 results for Materials Discovery

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
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
Heterogeneous Multitask Learning Across the Chemical Space
- - Thiago Reschutzegger
  - Yann Amado
  - et al.
- 2025
- ACS Spring 2025
Aliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- - Nathaniel Park
  - James Hedrick
- 2025
- ACS Spring 2025
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2025
- ACS Spring 2025
Study planning assistant: Supporting material discovery with agentic workflows
- - Viviane T. Silva
  - Renato Fontoura de Gusmao Cerqueira
  - 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
Polymeric Giant Unilamellar Vesicles Support Longevity of Native Nuclei in Protocells
- - Lukas Heuberger
  - Arianna Balestri
  - et al.
- 2025
- Small Sci.
Variational preparation of normal matrix product states on quantum computers
- - Ben Jaderberg
  - George Pennington
  - et al.
- 2025
- APS Global Physics Summit 2025
Extended Hubbard modelling of metal-organic-frameworks
- - Pamela Costa Carvalho
  - Federico Zipoli
  - et al.
- 2025
- APS Global Physics Summit 2025