Digital quantum computers provide a computational framework for solving the Schrödinger
equation for a variety of many‐particle systems. Quantum computing algorithms for the …

In this work, we present an overview of the phaseless auxiliary-field quantum Monte Carlo
(ph-AFQMC) approach from a computational quantum chemistry perspective and present a …

Interacting many-electron problems pose some of the greatest computational challenges in
science, with essential applications across many fields. The solutions to these problems will …

Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible
to simulate with a classical computer, the time and memory requirements generally scale …

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 …

Recent advances in selected configuration interaction methods have made them competitive
with the most accurate techniques available and, hence, creating an increasingly powerful …

The idea to use quantum mechanical devices to simulate other quantum systems is
commonly ascribed to Feynman. Since the original suggestion, concrete proposals have …

The computational description of correlated electronic structure, and particularly of excited
states of many-electron systems, is an anticipated application for quantum devices. An …

We present an algorithm to estimate the excited states of a quantum system by variational
Monte Carlo, which has no free parameters and requires no orthogonalization of the states …

A large collaboration carefully benchmarks 20 first-principles many-body electronic structure
methods on a test set of seven transition metal atoms and their ions and monoxides. Good …