FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4225117541> ?p ?o ?g. }

• W4225117541 endingPage "2200350" @default.
• W4225117541 startingPage "2200350" @default.
• W4225117541 abstract "The recent fabrication advances in nanoscience and molecular materials point toward a new era where material properties are tailored in silico for target applications. To fully realize this potential, accurate and computationally efficient theoretical models are needed for: a) the computer-aided design and optimization of new materials before their fabrication; and b) the accurate interpretation of experiments. The development of such theoretical models is a challenging multi-disciplinary problem where physics, chemistry, and material science are intertwined across spatial scales ranging from the molecular to the device level, that is, from ångströms to millimeters. In photonic applications, molecular materials are often placed inside optical cavities. Together with the sought-after enhancement of light-molecule interactions, the cavities bring additional complexity to the modeling of such devices. Here, a multi-scale approach that, starting from ab initio quantum mechanical molecular simulations, can compute the electromagnetic response of macroscopic devices such as cavities containing molecular materials is presented. Molecular time-dependent density-functional theory calculations are combined with the efficient transition matrix based solution of Maxwell's equations. Some of the capabilities of the approach are demonstrated by simulating surface metal-organic frameworks -in-cavity and J-aggregates-in-cavity systems that have been recently investigated experimentally, and providing a refined understanding of the experimental results." @default.
• W4225117541 created "2022-05-01" @default.
• W4225117541 creator A5011435628 @default.
• W4225117541 creator A5016185856 @default.
• W4225117541 creator A5025366707 @default.
• W4225117541 creator A5054748851 @default.
• W4225117541 creator A5064307923 @default.
• W4225117541 creator A5075906377 @default.
• W4225117541 creator A5076014746 @default.
• W4225117541 date "2022-04-28" @default.
• W4225117541 modified "2023-10-13" @default.
• W4225117541 title "A Multi‐Scale Approach for Modeling the Optical Response of Molecular Materials Inside Cavities" @default.
• W4225117541 cites W1991737393 @default.
• W4225117541 cites W2038185023 @default.
• W4225117541 cites W2044940833 @default.
• W4225117541 cites W2068228867 @default.
• W4225117541 cites W2074798388 @default.
• W4225117541 cites W2083273676 @default.
• W4225117541 cites W2114555208 @default.
• W4225117541 cites W2142920429 @default.
• W4225117541 cites W2157928204 @default.
• W4225117541 cites W2208209497 @default.
• W4225117541 cites W2489928082 @default.
• W4225117541 cites W2491595722 @default.
• W4225117541 cites W2514314815 @default.
• W4225117541 cites W2516953064 @default.
• W4225117541 cites W2761506025 @default.
• W4225117541 cites W2783538330 @default.
• W4225117541 cites W2889722291 @default.
• W4225117541 cites W2891670902 @default.
• W4225117541 cites W2960018345 @default.
• W4225117541 cites W2980955054 @default.
• W4225117541 cites W2991491663 @default.
• W4225117541 cites W3017170978 @default.
• W4225117541 cites W3026637383 @default.
• W4225117541 cites W3036165719 @default.
• W4225117541 cites W3041171915 @default.
• W4225117541 cites W3083701664 @default.
• W4225117541 cites W3101293559 @default.
• W4225117541 cites W3103758739 @default.
• W4225117541 cites W3103969462 @default.
• W4225117541 cites W3120680686 @default.
• W4225117541 cites W3128780211 @default.
• W4225117541 cites W3134874059 @default.
• W4225117541 cites W3136231871 @default.
• W4225117541 cites W3156030683 @default.
• W4225117541 cites W3170308889 @default.
• W4225117541 cites W3185730528 @default.
• W4225117541 cites W3198610819 @default.
• W4225117541 cites W3200374268 @default.
• W4225117541 cites W4200453928 @default.
• W4225117541 cites W4206903431 @default.
• W4225117541 cites W4232025020 @default.
• W4225117541 doi "https://doi.org/10.1002/adma.202200350" @default.
• W4225117541 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35384088" @default.
• W4225117541 hasPublicationYear "2022" @default.
• W4225117541 type Work @default.
• W4225117541 citedByCount "10" @default.
• W4225117541 countsByYear W42251175412022 @default.
• W4225117541 countsByYear W42251175412023 @default.
• W4225117541 crossrefType "journal-article" @default.
• W4225117541 hasAuthorship W4225117541A5011435628 @default.
• W4225117541 hasAuthorship W4225117541A5016185856 @default.
• W4225117541 hasAuthorship W4225117541A5025366707 @default.
• W4225117541 hasAuthorship W4225117541A5054748851 @default.
• W4225117541 hasAuthorship W4225117541A5064307923 @default.
• W4225117541 hasAuthorship W4225117541A5075906377 @default.
• W4225117541 hasAuthorship W4225117541A5076014746 @default.
• W4225117541 hasBestOaLocation W42251175411 @default.
• W4225117541 hasConcept C121332964 @default.
• W4225117541 hasConcept C141123601 @default.
• W4225117541 hasConcept C147597530 @default.
• W4225117541 hasConcept C171250308 @default.
• W4225117541 hasConcept C185592680 @default.
• W4225117541 hasConcept C192562407 @default.
• W4225117541 hasConcept C20788544 @default.
• W4225117541 hasConcept C2778755073 @default.
• W4225117541 hasConcept C49040817 @default.
• W4225117541 hasConcept C62520636 @default.
• W4225117541 hasConceptScore W4225117541C121332964 @default.
• W4225117541 hasConceptScore W4225117541C141123601 @default.
• W4225117541 hasConceptScore W4225117541C147597530 @default.
• W4225117541 hasConceptScore W4225117541C171250308 @default.
• W4225117541 hasConceptScore W4225117541C185592680 @default.
• W4225117541 hasConceptScore W4225117541C192562407 @default.
• W4225117541 hasConceptScore W4225117541C20788544 @default.
• W4225117541 hasConceptScore W4225117541C2778755073 @default.
• W4225117541 hasConceptScore W4225117541C49040817 @default.
• W4225117541 hasConceptScore W4225117541C62520636 @default.
• W4225117541 hasFunder F4320320876 @default.
• W4225117541 hasFunder F4320320879 @default.
• W4225117541 hasFunder F4320320882 @default.
• W4225117541 hasFunder F4320321990 @default.
• W4225117541 hasIssue "21" @default.
• W4225117541 hasLocation W42251175411 @default.
• W4225117541 hasLocation W42251175412 @default.
• W4225117541 hasOpenAccess W4225117541 @default.
• W4225117541 hasPrimaryLocation W42251175411 @default.

• next