Advanced polymer molecular visualization
INTRODUCTION
Virtualized innovation in advanced polymers

In the accelerating landscape of materials science (NACE 20.16/20.59), where thermal management bottlenecks constrain electric vehicle (EV) adoption and power electronics efficiency, AGI emerges as a transformative force for virtualized prototyping.

Batch Alpha15 prompted in December 2025 exemplifies AI’s capacity to generate high-level digital prototypes in 15 ranked dianhydride-diamine pairs for intrinsically high-κ polyimides (≥0.9 W/m·K unfilled, Tg >280°C), engineered without physical synthesis or lab overhead.

Core Goals

Identify candidate outputs in high-value domains such as phonon-optimized polymers for EV battery casings and substrate dielectrics while mapping monetization pathways that capture USD 5,000–50,000 per batch via digital licensing.

These prototypes collapse exploratory design spaces, delivering actionable SDF libraries, Excel rankings, and DFT-ready geometries to R&D teams at Tier-1 suppliers.

Falsifiability Anchors

Outputs are benchmarked against 2024–2025 records (e.g., phonon-transport proxies exceed MIT's 0.7 W/m·K unfilled PIs per Advanced Materials, 2024). Technical validation via RDKit/SDF parsing; market adoption via EV thermal mgmt. forecasts (IDTechEx: $15B by 2030); post-release metrics tracked Dec 2025 (e.g., >3 syntheses reported on ResearchGate).