Introduction

edoapra edited this page Mar 3, 2022 · 1 revision

NWChem Introduction

Getting Started

NWChem Architecture

Want to contribute to the NWChem Wiki?

Fork the github wiki repository, modify it and send a pull request.

NWChem User Documentation

Overview

System Description

Quantum Mechanical Methods

Quantum Molecular Dynamics

Molecular Mechanics

Hybrid Approaches

Potential Energy Surface Analysis

Electronic Structure Analysis

Other Capabilities

Examples

Supplementary Information

Compiling NWChem

Developer

Benchmarks

FAQ

Known Bugs

Clone this wiki locally