Waveflow: Boundary-conditioned normalizing flows applied to fermionic wave functions

An efficient and expressive wave function Ansatz is key to scalable solutions for complex many-body electronic structures. While Slater determinants are predominantly used for constructing antisymmetric electronic wave function Ansätze, this construction can result in limited expressiveness when the...

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Bibliographic Details
Main Authors: Luca Thiede, Chong Sun, Alán Aspuru-Guzik
Format: Article
Language:English
Published: AIP Publishing LLC 2024-12-01
Series:APL Machine Learning
Online Access:http://dx.doi.org/10.1063/5.0229620
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