301 citations · 1.5k across the 24 of their papers we have counts for
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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 (…
cond-mat.mtrl-sci2013★ 91 cited
Quantum Monte Carlo applied to solids
Luke Shulenburger, Thomas R. Mattsson
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to expe…