Experiment-Driven Atomistic Materials Modeling: A Case Study Combining X‑Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich Amorphous Carbon
Zarrouk, Tigany, Ibragimova, Rina, Bartók, Albert P., Caro, Miguel A.
Published in Journal of the American Chemical Society (29.05.2024)
Published in Journal of the American Chemical Society (29.05.2024)
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Journal Article
Experiment-driven atomistic materials modeling: A case study combining X-ray photoelectron spectroscopy and machine learning potentials to infer the structure of oxygen-rich amorphous carbon
Zarrouk, Tigany, Ibragimova, Rina, Bartók, Albert P, Caro, Miguel A
Published in arXiv.org (20.05.2024)
Published in arXiv.org (20.05.2024)
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Journal Article
Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
El-Machachi, Zakariya, Frantzov, Damyan, Nijamudheen, A, Zarrouk, Tigany, Caro, Miguel A, Deringer, Volker L
Year of Publication 23.05.2024
Year of Publication 23.05.2024
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