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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

B. X. Shi

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Preprint Sep 2026

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

We present the Quantum Accelerator (QuAcc), an open-source workflow library for atomistic simulations with an emphasis on quantum-mechanical calculations. QuAcc provides predefined workflow recipes spanning first-principles electronic-structure methods, semiempirical and tight-binding approaches, classical potentials,...

Andrew S. Rosen, Naisargi Goyal, B. Ayers et al. · 0 citations
Open access Apr 2026

Improving the accuracy of fixed-node diffusion Monte Carlo for non-covalent interactions.

Diffusion quantum Monte Carlo (DMC) and coupled cluster theory [CCSD(T)] are widely used benchmark methods for noncovalent interactions (NCIs). However, recent studies have reported notable discrepancies for several hydrogen-bonded and dispersion-dominated systems, raising questions about the accuracy of the approximat...

Kousuke Nakano, B. X. Shi, D. Alfé et al. · 1 citation

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