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20182023
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 571 across the 7 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 11 cited

Toward an accurate equation of state and B1-B2 phase boundary for magnesium oxide to TPa pressures and eV temperatures

Shuai Zhang, Reetam Paul, S. X. Hu +1

By applying auxiliary-field quantum Monte Carlo, we calculate the equation of state (EOS) and B1-B2 phase transition of magnesium oxide (MgO) up to 1 TPa. The results agree with av…

cond-mat.mtrl-sci2020★ 3 cited

First-principles Equations of State and Structures of Liquid Metals in Multi-megabar Conditions

Shuai Zhang, Miguel A. Morales

Liquid metals at extreme pressures and temperatures are widely interested in the high-pressure community. Based on density functional theory molecular dynamics, we conduct first-pr…