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20242026
most citedThe Denario project: Deep knowledge AI agents for scientific discovery

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cond-mat.mtrl-sci2026

Democratizing Atomistic Simulation Workflows for the AI Era with the Quantum Accelerator

Andrew S. Rosen, Naisargi Goyal, Brad Ayers +25

We present the Quantum Accelerator (QuAcc), an open-source workflow library for atomistic simulations with an emphasis on quantum-mechanical calculations. QuAcc provides predefined…