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7 - Computing properties
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Frontmatter
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8 - Parallel computing
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3 - Implementation: using the plane wave basis set
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10 - Properties from ab initio simulations
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Index
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![](https://assets.cambridge.org/97811076/63534/cover/9781107663534.jpg)
Ab Initio Molecular Dynamics
- Basic Theory and Advanced Methods
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Contents
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4 - Atoms with plane waves: accurate pseudopotentials
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2 - Getting started: unifying MD and electronic structure
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1 - Setting the stage: why ab initio molecular dynamics?
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11 - Outlook
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6 - Beyond norm-conserving pseudopotentials
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Preface
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5 - Beyond standard ab initio molecular dynamics
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Bibliography
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Part III - Applications
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Part II - Advanced techniques
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9 - From materials to biomolecules
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Part I - Basic techniques
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