NWChem Manual

How to download and install NWChem

Introduction

Quantum Mechanical Methods

Quantum Molecular Dynamics
- Plane-Wave Basis
- Gaussian Basis AIMD

Hybrid Approaches

Other Capabilities

NWChem Examples

How to Compile NWChem

Benchmarks performed with NWChem

Known Bugs

FAQ

NWChem Tutorials

Forum

Archived Forum

EMSL Arrows

Software supporting NWChem

Supplementary Information

Containers

NWChem

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Quantum Molecular Dynamics
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Quantum Molecular Dynamics¶

Plane-Wave Basis ¶

Gaussian Basis AIMD ¶

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