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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

R. Hennig

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2 papers indexed here

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Open access Sep 2026

How Accurately Can We Describe Spin Crossover?

The complicated physicochemical properties of metal complexes that exhibit thermal spin crossover make it difficult for routine electronic structure calculations to yield an accurate transition temperature prediction, T1/2. The difficulty lies in the intricate connection between the spin-crossover energy, which is a...

Angel Albavera-Mata, Daniel Mejía-Rodríguez, N. Govind et al. · 0 citations
Preprint Aug 2026

Electrostatic Phenomenology Benchmarks for Machine-Learned Interatomic Potentials in Electrochemistry: Beyond the Energy-Force Metric

Accurate treatment of long-range interactions in machine learning interatomic potentials (MLIPs) is essential for electrochemical simulations. However, aggregate energy and force errors alone are insufficient to establish an MLIP's physical accuracy since they do not detect qualitative inconsistencies in the model such...

Barbara Sumić, Ria Vasdev, S. Ethirajan et al. · 0 citations

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