We review recent advances in the capabilities of the open source ab initio Quantum Monte
Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency …

The ab initio thermodynamic simulation of correlated Fermi systems is of central importance
for many applications, such as warm dense matter, electrons in quantum dots, and ultracold …

The rigorous description of correlated quantum many-body systems constitutes one of the
most challenging tasks in contemporary physics and related disciplines. In this context, a …

The description of electronic exchange-correlation effects is of paramount importance for
many applications in physics, chemistry, and beyond. In a recent paper, Dornheim et …

Approximate solutions to the ab initio electronic structure problem have been a focus of
theoretical and computational chemistry research for much of the past century, with the goal …

We investigate the viability of the phaseless finite-temperature auxiliary-field quantum Monte
Carlo (ph-FT-AFQMC) method for ab initio systems using the uniform electron gas as a …

We present a Perspective on what the future holds for full configuration interaction (FCI)
theory, with an emphasis on conceptual rather than technical details. Upon revisiting the …

Accurate thermodynamic simulations of correlated fermions using path integral Monte Carlo
(PIMC) methods are of paramount importance for many applications such as the description …

We present three distinct examples where phaseless auxiliary-field quantum Monte Carlo
(ph-AFQMC) can be reliably performed with a single-determinant trial wave function with …

Ab initio quantum Monte Carlo methods, in principle, allow for the calculation of exact
properties of correlated many-electron systems but are, in general, limited to the simulation …