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
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- Materials Discovery
3479 results for Materials Discovery
PFACTS: Faster solutions for forever chemicals
- Dan Sanders
- Brandi Ransom
- et al.
- 2025
- ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- 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
Study planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- 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.
Computing bandgaps of periodic materials with a quantum processor via tight-biding projection and subspace quantum diagonalization
- Alan Duriez
- Pamela Costa Carvalho
- et al.
- 2025
- APS Global Physics Summit 2025
Exploring quantum computing for materials discovery in direct air capture applications
- 2025
- APS Global Physics Summit 2025
Quantum Computer-Enhanced Surface Reaction Simulations for Battery Materials through Sample-Based Quantum Diagonalization and Local Embedding
- 2025
- APS Global Physics Summit 2025