Search Results for author: Ingrid von Glehn

Found 3 papers, 3 papers with code

Natural Quantum Monte Carlo Computation of Excited States

2 code implementations31 Aug 2023 David Pfau, Simon Axelrod, Halvard Sutterud, Ingrid von Glehn, James S. Spencer

We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states.

Variational Monte Carlo

A Self-Attention Ansatz for Ab-initio Quantum Chemistry

3 code implementations24 Nov 2022 Ingrid von Glehn, James S. Spencer, David Pfau

In recent years, deep neural networks like the FermiNet and PauliNet have been used to significantly improve the accuracy of these first-principle calculations, but they lack an attention-like mechanism for gating interactions between electrons.

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