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Theory & Modeling Facility

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Associated lab: Argonne National Laboratory

User Facility: No

About

R&D Capabilities

Discover what the Theory & Modeling Facility has to offer.

High Performance Computing

The Group leverages the advanced capability of Carbon a 30 teraflop High Performance Computing cluster at Argonne

Quantum Dynamics

The Group has expertise in developing and applying quantum dynamics and cavity quantum dynamics codes

Artificial Intelligence & Machine Learning

Machine learning based toolkits for force field development and atomistic imaging from multimodal data

Dynamics Codes

Electronic structure molecular dynamics and electrodynamics codes