Using this Guide

The Nexus User Guide provides an overview of Nexus (Overview of Nexus), instructions on how to install it (Nexus Installation), an explanation of Nexus user scripts used to create simulation workflows (Nexus User Scripts), and complete examples of electronic structure calculations using Nexus (Complete Examples). Reading all sections is recommended prior to beginning production work. The impatient may quickly visit Nexus Installation) and see the Complete Examples section for template calculations to begin using Nexus immediately. If you cannot find what you need in this document, contact the main developer of Nexus (Jaron Krogel), at (but please make a thorough search first!).

Some basic understanding of Python is recommended for Nexus users. For a very quick introduction to the basics, read Basic Python Constructs. More information can be found under “Brushing up on Python” in the “Recommended Reading” Section (Brushing up on Python).

This document also provides a brief overview of Quantum Monte Carlo (QMC) from an applied perspective (QMC Practice in a Nutshell) and directions on where to go to learn more (Recommended Reading). Consider reading “QMC Practice in a Nutshell” (QMC Practice in a Nutshell) and the review articles and online resources listed under “Quantum Monte Carlo: Theory and Practice” (Quantum Monte Carlo: Theory and Practice) before proceeding to the Overview of Nexus) and the Complete Examples.