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20042023
most citedOn the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

295 citations · 2.3k across the 39 of their papers we have counts for

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Showing 2018 · physics.comp-phShow all

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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,…