407 citations · 2.3k across the 23 of their papers we have counts for
3 papers · 2 filters
Continuum variational and diffusion quantum Monte Carlo calculations
R. J. Needs, M. D. Towler, N. D. Drummond +1
This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wave function…
Fundamental high pressure calibration from all-electron quantum Monte Carlo calculations
K. P. Esler, R. E. Cohen, B. Militzer +3
We develop an all-electron quantum Monte Carlo (QMC) method for solids that does not rely on pseudopotentials, and use it to construct a primary ultra-high pressure calibration bas…
Quantum Monte Carlo for minerals at high pressure: Phase stability, equations of state, and elasticity of silica
K. P. Driver, R. E. Cohen, Zhigang Wu +5
Silica is an abundant component of the Earth whose crystalline polymorphs play key roles in its structure and dynamics. As the simplest silicates, understanding pure silica is a pr…