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A Machine-Learning Surrogate Model for ab initio Electronic Correlations at Extreme Conditions

Dornheim, T.; Moldabekov, Z.; Cangi, A.

The electronic structure in matter under extreme conditions is a challenging complex system prevalent in astrophysical objects and highly relevant for technological applications. We show how machine-learning surrogates in terms of neural networks have a profound impact on the efficient modeling of matter under extreme conditions. We demonstrate the utility of a surrogate model that is trained on \emph{ab initio} quantum Monte Carlo data for various applications in the emerging field of warm dense matter research.

Keywords: Machine Learning; Surrogate model; warm dense matter

Permalink: https://www.hzdr.de/publications/Publ-33432
Publ.-Id: 33432