237 citations · 1.1k across the 15 of their papers we have counts for
Showing 2013Show all
2 papers · 1 filter
cond-mat.stat-mech2013★ 86 cited
First-principles calculation of entropy for liquid metals
Michael P. Desjarlais
We demonstrate the accurate calculation of entropies and free energies for a variety of liquid metals using an extension of the two phase thermodynamic (2PT) model based on a decom…
cond-mat.mtrl-sci2013★ 18 cited
Theory of melting at high pressures: Amending Density Functional Theory with Quantum Monte Carlo
Luke Shulenburger, M. P. Desjarlais, T. R. Mattsson
We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (…