Quantum Monte Carlo (QMC) is a family of stochastic methods for solving quantum many-
body problems such as the stationary Schrödinger equation. The review introduces basic …

Correlated electron materials display a rich variety of notable properties ranging from
unconventional superconductivity to metal-insulator transitions. These properties are of …

A first-principles density-functional description of the electronic structures of the high-T c
cuprates has remained a long-standing problem since their discovery in 1986, with …

We show how an accurate first-principles treatment of the antiferromagnetic ground state of
La 2 CuO 4 can be obtained without invoking any free parameters such as the Hubbard U …

The quantitative description of correlated electron materials remains a modern
computational challenge. We demonstrate a numerical strategy to simulate correlated …

Realistic description of competing phases in complex quantum materials has proven
extremely challenging. For example, much of the existing density-functional-theory-based …

Vanadium dioxide (VO 2) is a paradigmatic example of a strongly correlated system that
undergoes a metal-insulator transition at a structural phase transition. To date, this transition …

Highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and
diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals …

We develop a method for calculating the fundamental electronic gap of semiconductors and
insulators using grand canonical quantum Monte Carlo simulations. We discuss the origin of …

In this review, we consider state-of-the-art density functional theory (DFT) investigations of
strongly correlated systems performed with the meta-generalized gradient approximation …