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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Comparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery Domain
- Viviane T. Silva
- Anaximandro Souza
- et al.
- 2025
- ACS Spring 2025
Physics-informed categorization of data modalities used in AI-assisted drug discovery
- 2025
- ACS Spring 2025
Constructing an open database of barrier heights for diverse elementary organic reactions
- 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
- 2025
- ACS Spring 2025
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- Tiffany Callahan
- Kevin Cheng
- 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.
High-throughput search of topological materials for interconnects using first-principles transport calculations and machine-learning
- Michelle Kelley
- Kai Wagoner-oshima
- et al.
- 2025
- APS Global Physics Summit 2025
Direct microwave spectroscopy of Andreev bound states in planar Ge Josephson junctions
- Sofieke ten Kate
- Manuel Hinderling
- et al.
- 2025
- APS Global Physics Summit 2025