2 papers
cond-mat.mtrl-sci2026
Spatial statistics for screening molecular structures
Pranoy Ray, Surya R. Kalidindi
The dominant paradigm in computational materials discovery relies on heavily parameterized deep architectures, including message-passing graph networks and equivariant models, that…
cs.LG2025
PolyMicros: Bootstrapping a Foundation Model for Polycrystalline Material Structure
Michael Buzzy, Andreas Robertson, Peng Chen +1
Recent advances in Foundation Models for Materials Science are poised to revolutionize the discovery, manufacture, and design of novel materials with tailored properties and respon…