most cited{\em Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas in the thermodynamic limit

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cond-mat.mtrl-sci2014★ 80 cited

Finite-temperature orbital-free DFT molecular dynamics: coupling Profess and Quantum Espresso

Valentin V. Karasiev, Travis Sjostrom, S. B. Trickey

Implementation of orbital-free free-energy functionals in the Profess code and the coupling of Profess with the Quantum Espresso code are described. The combination enables orbital…