Optimal determination of force field parameters for reduced molecular dynamics model (Q6102786)
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scientific article; zbMATH DE number 7683635
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Optimal determination of force field parameters for reduced molecular dynamics model |
scientific article; zbMATH DE number 7683635 |
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Optimal determination of force field parameters for reduced molecular dynamics model (English)
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9 May 2023
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gradient-based optimization
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adjoint design sensitivity
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molecular dynamics
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NVT ensemble
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gold nanoparticle
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mica substrate
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