Contract · Federal · No Set aside used

Simulator Collection for Atomic to Continuum Scales (SCACS)

Agency: ENERGY, DEPARTMENT OF / ENERGY, DEPARTMENT OF
Location: Los Alamos, NM
Amount: Amount not listed
Posted: Aug 18, 2026
Set-aside: No Set aside used
NAICS code: 541715 - Scientific Research and Development Services (general category) look up NAICS codes
PSC code: AN15

Timeline

Posted

Aug 18, 2026
Status

Open now

What contracts like this typically pay

No award history yet for this category (NAICS 541715).

What this contract is for

Agency: ENERGY, DEPARTMENT OF / ENERGY, DEPARTMENT OF
Location: Los Alamos, NM
Set-aside: No Set aside used
NAICS: 541715 - Scientific Research and Development Services (general category)
Scope: Federal

Engineers designing semiconductors, fusion reactors, spacecraft and advanced electronics need to know how heat and electricity will move through materials, at every microscopic location where a defect, grain boundary or interface could trigger failure.

SCACS, developed by scientists at Los Alamos National Laboratory, delivers that insight by connecting two worlds that have long been disconnected: the atomic-scale physics that governs true material behavior and the continuum-scale engineering models used to design real devices.

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.

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 machine-learned physics directly into engineering-scale simulations.

Its core technology uses proprietary models Site-Projected Thermal Conductivity (SPTC-AI) and Site-Projected Electronic Conductivity (SPEC-AI) to translate first-principles insights into spatially resolv...

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