Web: http://arxiv.org/abs/2109.12606

Jan. 27, 2022, 2:11 a.m. | Thomas D. Barrett, Aleksei Malyshev, A. I. Lvovsky

cs.LG updates on arXiv.org arxiv.org

In recent years, neural network quantum states (NNQS) have emerged as
powerful tools for the study of quantum many-body systems. Electronic structure
calculations are one such canonical many-body problem that have attracted
significant research efforts spanning multiple decades, whilst only recently
being attempted with NNQS. However, the complex non-local interactions and high
sample complexity are significant challenges that call for bespoke solutions.
Here, we parameterise the electronic wavefunction with a novel autoregressive
neural network (ARN) that permits highly efficient and …

ab arxiv chemistry network neural physics

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