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nanoMATERIALS SeqQuest DFT

DFT calculations of materials

Launch Tool

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Archive Version 1.2
Published on 16 Nov 2010
Latest version: 1.5. All versions

doi:10.4231/D3V40JZ7T cite this

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Abstract

This tool provides access to the density functional theory code SeqQuest via nanoHUB.org. SeqQuest is developed at Sandia National Laboratories by Dr. Peter A. Schultz of the Multiscale Dynamic Materials Modeling Department and collaborators. Using SeqQuest, this tool enables users to calculate the total energy, atomic forces and stress for molecules, wires, slabs and bulk systems.

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