most citedA practical approach to Hohenberg-Kohn maps based on many-body correlations: learning the electronic density

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physics.chem-ph2020★ 1 cited

A practical approach to Hohenberg-Kohn maps based on many-body correlations: learning the electronic density

Edgar Josué Landinez Borda, Amit Samanta

High throughput screening of materials for technologically relevant areas, like identification of better catalysts, electronic materials, ceramics for high temperature applications…

physics.comp-ph2020

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo

P. R. C. Kent, Abdulgani Annaberdiyev, Anouar Benali +21

We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and rep…