495 citations · 538 across the 7 of their papers we have counts for
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physics.chem-ph2024★ 11 cited
Highly Accurate Real-space Electron Densities with Neural Networks
Lixue Cheng, P. Bernát Szabó, Zeno Schätzle +7
Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extractio…
physics.chem-ph2024★ 7 cited
An improved penalty-based excited-state variational Monte Carlo approach with deep-learning ansatzes
P. Bernát Szabó, Zeno Schätzle, Mike T. Entwistle +1
We introduce several improvements to the penalty-based variational quantum Monte Carlo (VMC) algorithm for computing electronic excited states of Entwistle [M. T.…