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arXiv · 2506.17015

Simulating Correlated Electrons with Symmetry-Enforced Normalizing Flows

Dominic Schuh·Janik Kreit·Evan Berkowitz·Lena Funcke·Thomas Luu·Kim A. Nicoli·Marcel Rodekamp
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Abstract

We present the first proof of principle that normalizing flows can accurately learn the Boltzmann distribution of the fermionic Hubbard model - a key framework for describing the electronic structure of graphene and related materials. State-of-the-art methods like Hybrid Monte Carlo often suffer from ergodicity issues near the time-continuum limit, leading to biased estimates. Leveraging symmetry-aware architectures as well as independent and identically distributed sampling, our approach resolves these issues and achieves significant speed-ups over traditional methods.

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Dominic Schuh, Janik Kreit, Evan Berkowitz, Lena Funcke, Thomas Luu, Kim A. Nicoli, Marcel Rodekamp. 2025-06-20. Simulating Correlated Electrons with Symmetry-Enforced Normalizing Flows. https://arxiv.org/abs/2506.17015

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