Efficient variable cell shape geometry optimization (Q6145474): Difference between revisions

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Property / DOI: 10.1016/j.jcpx.2023.100131 / rank
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Property / DOI: 10.1016/J.JCPX.2023.100131 / rank
 
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Latest revision as of 18:52, 30 December 2024

scientific article; zbMATH DE number 7785574
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English
Efficient variable cell shape geometry optimization
scientific article; zbMATH DE number 7785574

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    Efficient variable cell shape geometry optimization (English)
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    9 January 2024
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    computational physics
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    geometry optimization
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    variable cell shape
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    materials science
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    structure prediction
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    potential energy surface
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