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NCAPP 2023

Notebooks illustrated on the NCAPP 2023 poster
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Potential energy curves and minimization: A simple example This notebook is a fork
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Rob Whitnell
Jun 27, 2023•1
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What do we need to do before we can simulate molecular motion?
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Rob Whitnell
Jun 12, 2023•6
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How do we model the interactions between molecules (or between different parts of… This notebook is a fork
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Rob Whitnell
Jun 12, 2023•4
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How do we model the internal motions of a molecule? Stretching vibrations
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Rob Whitnell
Jun 12, 2023•4