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20142021
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 611 across the 8 of their papers we have counts for

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Showing 2018Show all

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cond-mat.mtrl-sci2018

Towards a systematically improvable many-body description of antiferromagnetic iron oxide

Joshua P Townsend, Raymond C Clay, Thomas R Mattsson +5

We report variational and fixed-node diffusion quantum Monte Carlo (QMC) calculations of anti-ferromagnetic iron oxide (FeO) in the ground state B1 crystal structure. The goal of t…

physics.comp-ph2018★ 290 cited

QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms,…