1. Continuous software releases
Package exa-AMD updates for MLIP relaxation, beyond-ternary motif libraries, AGA integration, disorder generation, and agentic workflow hooks.
MLAMD Center
AI/ML + exascale computing
Outlook
The next stage turns released workflows into reusable community capability, versioned data, and trustworthy AI-managed scientific workflow control.
Forward plan
Package exa-AMD updates for MLIP relaxation, beyond-ternary motif libraries, AGA integration, disorder generation, and agentic workflow hooks.
Release curated multicomponent motifs, generated prototypes, selected relaxed structures, hull metadata, and thermodynamic data products with clear provenance.
Demonstrate a bounded AI co-pilot that recommends calculations, monitors failures, manages HPC resources, and preserves human-controlled validation gates.
Use magnetic-materials searches, R-Mn-B-derived systems, and synthesis-pathway demonstrations to show that the workflows answer real materials questions.