Computational optimal transport for molecular spectra: The semi-discrete case
Comparing a discrete molecular spectrum to a continuous molecular spectrum in a quantitative manner is a challenging problem, for example, when attempting to fit a theoretical stick spectrum to a continuous spectrum. In this paper, the use of computational optimal transport is investigated for such...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
NLM (Medline)
2022
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| Subjects: | |
| Online Access: | View Fulltext in Publisher |