QWalk is a program developed to perform high accuracy quantum Monte Carlo calculations of electronic structure in molecules and solids. It is specifically designed as a research vehicle for new algorithms and method developments, as well as being able to scale up to large system sizes.

QWalk is freely available for download. We only ask that you let us know who you are before you download it, to help with funding. In fact, we gratefully acknowledge the NSF and DOE for funding projects that have contributed to QWalk.

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For users

When starting, go in this order.

• Introductory tutorial video
• Try the learning tool (free registration on NanoHUB)
• Download
• Tutorial
• Manual
• Paper

For developers

• Contributing