CrystalJev: calibrated foundation-model probabilities decide what to compute next in materials discovery
cond-mat.mtrl-sci, cs.AI, physics.comp-ph
Submitted: 2026-10-04
Updated: 2026-10-12
Sources
- A foundation model for atomistic materials chemistry
- Orb-v3: atomistic simulation at scale
- UMA: A Family of Universal Models for Atoms
- Knowing when to trust machine-learned interatomic potentials
- When Active Learning Fails, Uncalibrated Out of Distribution Uncertainty Quantification Might Be the Problem
- Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement
- Atomistic Language Models Understand and Generate Materials
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