FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4366996582> ?p ?o ?g. }

• W4366996582 abstract "Recent work [Mirth et al., J. Chem. Phys. 154, 114114 (2021)] has demonstrated that sublevelset persistent homology provides a compact representation of the complex features of an energy landscape in 3 N-dimensions. This includes information about all transition paths between local minima (connected by critical points of index ≥1) and allows for differentiation of energy landscapes that may appear similar when considering only the lowest energy pathways (as tracked by other representations, such as disconnectivity graphs, using index 1 critical points). Using the additive nature of the conformational potential energy landscape of n-alkanes, it became apparent that some topological features—such as the number of sublevelset persistence bars—could be proven. This work expands the notion of predictable energy landscape topology to any additive intramolecular energy function on a product space, including the number of sublevelset persistent bars as well as the birth and death times of these topological features. This amounts to a rigorous methodology to predict the relative energies of all topological features of the conformational energy landscape in 3N dimensions (without the need for dimensionality reduction). This approach is demonstrated for branched alkanes of varying complexity and connectivity patterns. More generally, this result explains how the sublevelset persistent homology of an additive energy landscape can be computed from the individual terms comprising that landscape." @default.
• W4366996582 created "2023-04-27" @default.
• W4366996582 creator A5018524538 @default.
• W4366996582 creator A5039426918 @default.
• W4366996582 creator A5042696274 @default.
• W4366996582 creator A5048639368 @default.
• W4366996582 date "2023-04-25" @default.
• W4366996582 modified "2023-09-26" @default.
• W4366996582 title "Additive energy functions have predictable landscape topologies" @default.
• W4366996582 cites W1446059037 @default.
• W4366996582 cites W1943124986 @default.
• W4366996582 cites W1982426404 @default.
• W4366996582 cites W1993018469 @default.
• W4366996582 cites W1994060504 @default.
• W4366996582 cites W2013785414 @default.
• W4366996582 cites W2023568862 @default.
• W4366996582 cites W2027130342 @default.
• W4366996582 cites W2029723863 @default.
• W4366996582 cites W2030347560 @default.
• W4366996582 cites W2031107710 @default.
• W4366996582 cites W2044207839 @default.
• W4366996582 cites W2051381895 @default.
• W4366996582 cites W2074008254 @default.
• W4366996582 cites W2078604215 @default.
• W4366996582 cites W2124511088 @default.
• W4366996582 cites W2132344942 @default.
• W4366996582 cites W2259524780 @default.
• W4366996582 cites W2593719168 @default.
• W4366996582 cites W2611711635 @default.
• W4366996582 cites W2760370796 @default.
• W4366996582 cites W2901995873 @default.
• W4366996582 cites W2947925048 @default.
• W4366996582 cites W2981736950 @default.
• W4366996582 cites W3096636473 @default.
• W4366996582 cites W3118771332 @default.
• W4366996582 cites W3134477735 @default.
• W4366996582 cites W3157340527 @default.
• W4366996582 cites W3203597913 @default.
• W4366996582 cites W3209850868 @default.
• W4366996582 cites W4282971902 @default.
• W4366996582 doi "https://doi.org/10.1063/5.0140667" @default.
• W4366996582 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37096849" @default.
• W4366996582 hasPublicationYear "2023" @default.
• W4366996582 type Work @default.
• W4366996582 citedByCount "0" @default.
• W4366996582 crossrefType "journal-article" @default.
• W4366996582 hasAuthorship W4366996582A5018524538 @default.
• W4366996582 hasAuthorship W4366996582A5039426918 @default.
• W4366996582 hasAuthorship W4366996582A5042696274 @default.
• W4366996582 hasAuthorship W4366996582A5048639368 @default.
• W4366996582 hasBestOaLocation W43669965821 @default.
• W4366996582 hasConcept C111030470 @default.
• W4366996582 hasConcept C11413529 @default.
• W4366996582 hasConcept C114614502 @default.
• W4366996582 hasConcept C119621388 @default.
• W4366996582 hasConcept C121332964 @default.
• W4366996582 hasConcept C121864883 @default.
• W4366996582 hasConcept C134306372 @default.
• W4366996582 hasConcept C154945302 @default.
• W4366996582 hasConcept C17744445 @default.
• W4366996582 hasConcept C184720557 @default.
• W4366996582 hasConcept C186370098 @default.
• W4366996582 hasConcept C186633575 @default.
• W4366996582 hasConcept C199539241 @default.
• W4366996582 hasConcept C2776359362 @default.
• W4366996582 hasConcept C2874115 @default.
• W4366996582 hasConcept C33923547 @default.
• W4366996582 hasConcept C41008148 @default.
• W4366996582 hasConcept C62520636 @default.
• W4366996582 hasConcept C94625758 @default.
• W4366996582 hasConcept C97355855 @default.
• W4366996582 hasConceptScore W4366996582C111030470 @default.
• W4366996582 hasConceptScore W4366996582C11413529 @default.
• W4366996582 hasConceptScore W4366996582C114614502 @default.
• W4366996582 hasConceptScore W4366996582C119621388 @default.
• W4366996582 hasConceptScore W4366996582C121332964 @default.
• W4366996582 hasConceptScore W4366996582C121864883 @default.
• W4366996582 hasConceptScore W4366996582C134306372 @default.
• W4366996582 hasConceptScore W4366996582C154945302 @default.
• W4366996582 hasConceptScore W4366996582C17744445 @default.
• W4366996582 hasConceptScore W4366996582C184720557 @default.
• W4366996582 hasConceptScore W4366996582C186370098 @default.
• W4366996582 hasConceptScore W4366996582C186633575 @default.
• W4366996582 hasConceptScore W4366996582C199539241 @default.
• W4366996582 hasConceptScore W4366996582C2776359362 @default.
• W4366996582 hasConceptScore W4366996582C2874115 @default.
• W4366996582 hasConceptScore W4366996582C33923547 @default.
• W4366996582 hasConceptScore W4366996582C41008148 @default.
• W4366996582 hasConceptScore W4366996582C62520636 @default.
• W4366996582 hasConceptScore W4366996582C94625758 @default.
• W4366996582 hasConceptScore W4366996582C97355855 @default.
• W4366996582 hasFunder F4320306076 @default.
• W4366996582 hasFunder F4320306101 @default.
• W4366996582 hasIssue "16" @default.
• W4366996582 hasLocation W43669965821 @default.
• W4366996582 hasLocation W43669965822 @default.
• W4366996582 hasOpenAccess W4366996582 @default.
• W4366996582 hasPrimaryLocation W43669965821 @default.
• W4366996582 hasRelatedWork W1973164090 @default.
• W4366996582 hasRelatedWork W1974694157 @default.

• next