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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Jesper R. Pedersen

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3 papers indexed here

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Review Open access Sep 2026

Toward Full Interoperability in Materials Science: Integrating Workflows With Knowledge Graphs

Interoperability is a central challenge in modern materials science as scientific workflows increasingly need to integrate heterogeneous computational methods, experimental infrastructures, data platforms, and AI‐assisted systems. This perspective presents interoperability concepts from European digitalization initiati...

Jan Janssen, Osamu Waseda, Bernd Bayerlein et al. · 0 citations
Preprint Sep 2026

Hamiltonian learning reveals optoelectronic mechanisms across thermodynamic state space in soft semiconductors

Predicting optoelectronic response across thermodynamic state space requires coupling finite-temperature nuclear dynamics to electronic structure at scales where direct first-principles calculations are impractical. Machine-learning force fields and Hamiltonian-learning models provide scalable predictions, but integrat...

Frederik Vonhoff, Jesper R. Pedersen, Frederico P. Delgado et al. · 0 citations
#artificial intelligence Open access Sep 2026

Supporting AI Readiness Through Digital Workflows in Materials Science

This article examines 13 workflow contributions from the second and third funding phases of the MaterialDigital initiative and shows how workflows support AI‐ready research both through integrated AI methods and through structured, traceable, and reusable pipelines.

Marian Bruns, Lateef Abdul, Stephan Barth et al. · 1 citation

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