Quantum crystals abound in the whole range of solid-state species. Below a certain
threshold temperature the physical behavior of rare gases (He 4 and Ne), molecular solids …

Abstract Quantum Monte Carlo methods represent a powerful and broadly applicable
computational tool for finding very accurate solutions of the stationary Schrödinger equation …

The terrestrial planets accreted from a diverse suite of solar system materials ranging from
strongly O-deficient materials similar to enstatite chondrites via ordinary chondrite materials …

Chemical heterogeneity, produced by the near-surface rock cycle and dominated
volumetrically by subducted oceanic crust and its depleted residue, is continuously …

We apply diffusion quantum Monte Carlo to a broad set of solids, benchmarking the method
by comparing bulk structural properties (equilibrium volume and bulk modulus) to …

The elastic constant tensors of stishovite and the CaCl 2-type silica at the Earth's mantle
temperature and pressure were determined using first-principles calculations with local …

We have carried out quantum Monte Carlo (QMC) calculations of silicon crystal focusing on
the accuracy and systematic biases that affect the electronic structure characteristics. The …

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 …

Silica is thought to be present in the Earth's lower mantle in subducting plates, in addition to
being a prototypical solid whose physical properties are of broad interest. It is known to …

Dense silica polymorphs with sixfold coordinated Si have been found in SNC and lunar
meteorites and may be important minerals for silica‐rich components in the lower mantle …