Tech Snapshot

Richard P. Feynman Center for Innovation

Technology Snapshot
Technology Licensing Opportunity

SCACS

Simulator Collection for Atomicto-Continuum Scales
Value Proposition
Built on novel atomic-site-projected
conductivity methods and accelerated
through graph neural networks, SCACS
predicts spatially varying, direction-dependent
thermal and electrical transport across large
million-atom systems, giving material design
engineers a physics-grounded view of where
hot-spots will form in materials, how defects
will steer current and which microstructural
choices will make or break performance.

Technology Readiness Level 4
IP Information for S-196281
U.S. Patent pending; Related software: T5032

Contact Information
[email protected]

Overview
The SCACS Toolkit is an AI-driven multiscale
simulation platform designed to accelerate the
development and deployment of advanced
materials. Today, materials innovation is slowed
by a fundamental gap: High-fidelity physics
models (e.g., molecular dynamics) are too
computationally expensive for real-world design,
while the engineering-scale tools rely on simplified
assumptions that limit predictive accuracy.
This disconnect leads to costly trial-and-error
development cycles and unexpected material failures
in critical systems.
SCACS bridges this gap by embedding machinelearned physics directly into engineering-scale

Fig. 1. Most simulation tools rely on a single averaged conductivity value, missing the microstructural variation that produces hot spots, unexpected transport pathways, and early failures in real materials.

simulations. Its core technology uses proprietary
models Site-Projected Thermal Conductivity (SPTCAI) and Site-Projected Electronic Conductivity (SPEC-AI) to translate first-principles insights into
spatially resolved transport properties that can
be used within standard finite element workflows.
This approach enables accurate prediction of heat
and electrical behavior in complex, heterogeneous
materials at practical scales.
The platform has broad commercial relevance
across industries where thermal and electrical
performance are critical, including semiconductors,
energy systems, and advanced manufacturing. By
reducing development time, improving reliability and
lowering testing costs, SCACS offers a pathway
to faster material qualification and more efficient
product design, positioning it as a high-impact