FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4280640719> ?p ?o ?g. }

• W4280640719 endingPage "111491" @default.
• W4280640719 startingPage "111491" @default.
• W4280640719 abstract "Molecular dynamics simulations have shown substantial promise in the design of organic photovoltaic cells (OPVC). Despite their potential, the utility of molecular dynamics simulations when designing an OPVC is often limited due to their considerable computational cost and their limited prediction accuracy. To address these challenges, we introduce a three-step multi-fidelity design framework that enables a designer to efficiently explore the space of admissible processing conditions, using coarse-grained molecular dynamics (CGMD) simulations, to identify the optimal OPVC design. Using a novel spectral density based approach to reconstruct microstructures of variable size, the framework is able to sequentially search for the globally optimal microstructure using a low-fidelity CGMD simulation with a smaller window size, followed by the optimization of the processing conditions using the high-fidelity simulation. The division in two steps and two fidelities enables the optimization of CGMD simulations at previously intractable lengths and timescales. We validate our results by demonstrating that the CGMD model predictions are consistent with physical experiments reported in the literature and corroborate that the computational complexity is reduced by one order of magnitude." @default.
• W4280640719 created "2022-05-22" @default.
• W4280640719 creator A5011950631 @default.
• W4280640719 creator A5014228963 @default.
• W4280640719 creator A5017541508 @default.
• W4280640719 creator A5067128708 @default.
• W4280640719 creator A5072134023 @default.
• W4280640719 creator A5079756692 @default.
• W4280640719 date "2022-08-01" @default.
• W4280640719 modified "2023-10-14" @default.
• W4280640719 title "Designing active layer of organic solar cells using multi-fidelity molecular simulations and spectral density function" @default.
• W4280640719 cites W1967005434 @default.
• W4280640719 cites W1982653967 @default.
• W4280640719 cites W2003327154 @default.
• W4280640719 cites W2015523180 @default.
• W4280640719 cites W2028261043 @default.
• W4280640719 cites W2029480728 @default.
• W4280640719 cites W2029667189 @default.
• W4280640719 cites W2046875939 @default.
• W4280640719 cites W2063180182 @default.
• W4280640719 cites W2078067067 @default.
• W4280640719 cites W2083149950 @default.
• W4280640719 cites W2085485797 @default.
• W4280640719 cites W2091934641 @default.
• W4280640719 cites W2092246892 @default.
• W4280640719 cites W2092799351 @default.
• W4280640719 cites W2224549323 @default.
• W4280640719 cites W2240528772 @default.
• W4280640719 cites W2265577974 @default.
• W4280640719 cites W2787973911 @default.
• W4280640719 cites W2789526630 @default.
• W4280640719 cites W2791330441 @default.
• W4280640719 cites W2842836454 @default.
• W4280640719 cites W2883958595 @default.
• W4280640719 cites W2889081088 @default.
• W4280640719 cites W2912469459 @default.
• W4280640719 cites W2937194982 @default.
• W4280640719 cites W2999158594 @default.
• W4280640719 cites W3013610540 @default.
• W4280640719 cites W3036185742 @default.
• W4280640719 cites W3097750407 @default.
• W4280640719 cites W3130379945 @default.
• W4280640719 cites W3157958405 @default.
• W4280640719 cites W3158229905 @default.
• W4280640719 cites W3159543701 @default.
• W4280640719 cites W3159580129 @default.
• W4280640719 cites W3206671753 @default.
• W4280640719 cites W3214831084 @default.
• W4280640719 cites W4254038553 @default.
• W4280640719 cites W4292671739 @default.
• W4280640719 doi "https://doi.org/10.1016/j.commatsci.2022.111491" @default.
• W4280640719 hasPublicationYear "2022" @default.
• W4280640719 type Work @default.
• W4280640719 citedByCount "1" @default.
• W4280640719 countsByYear W42806407192023 @default.
• W4280640719 crossrefType "journal-article" @default.
• W4280640719 hasAuthorship W4280640719A5011950631 @default.
• W4280640719 hasAuthorship W4280640719A5014228963 @default.
• W4280640719 hasAuthorship W4280640719A5017541508 @default.
• W4280640719 hasAuthorship W4280640719A5067128708 @default.
• W4280640719 hasAuthorship W4280640719A5072134023 @default.
• W4280640719 hasAuthorship W4280640719A5079756692 @default.
• W4280640719 hasBestOaLocation W42806407191 @default.
• W4280640719 hasConcept C113364801 @default.
• W4280640719 hasConcept C121332964 @default.
• W4280640719 hasConcept C121864883 @default.
• W4280640719 hasConcept C14036430 @default.
• W4280640719 hasConcept C147597530 @default.
• W4280640719 hasConcept C185592680 @default.
• W4280640719 hasConcept C186060115 @default.
• W4280640719 hasConcept C192562407 @default.
• W4280640719 hasConcept C24890656 @default.
• W4280640719 hasConcept C2776459999 @default.
• W4280640719 hasConcept C41008148 @default.
• W4280640719 hasConcept C59593255 @default.
• W4280640719 hasConcept C76155785 @default.
• W4280640719 hasConcept C78458016 @default.
• W4280640719 hasConcept C86803240 @default.
• W4280640719 hasConceptScore W4280640719C113364801 @default.
• W4280640719 hasConceptScore W4280640719C121332964 @default.
• W4280640719 hasConceptScore W4280640719C121864883 @default.
• W4280640719 hasConceptScore W4280640719C14036430 @default.
• W4280640719 hasConceptScore W4280640719C147597530 @default.
• W4280640719 hasConceptScore W4280640719C185592680 @default.
• W4280640719 hasConceptScore W4280640719C186060115 @default.
• W4280640719 hasConceptScore W4280640719C192562407 @default.
• W4280640719 hasConceptScore W4280640719C24890656 @default.
• W4280640719 hasConceptScore W4280640719C2776459999 @default.
• W4280640719 hasConceptScore W4280640719C41008148 @default.
• W4280640719 hasConceptScore W4280640719C59593255 @default.
• W4280640719 hasConceptScore W4280640719C76155785 @default.
• W4280640719 hasConceptScore W4280640719C78458016 @default.
• W4280640719 hasConceptScore W4280640719C86803240 @default.
• W4280640719 hasFunder F4320306076 @default.
• W4280640719 hasLocation W42806407191 @default.
• W4280640719 hasOpenAccess W4280640719 @default.
• W4280640719 hasPrimaryLocation W42806407191 @default.
• W4280640719 hasRelatedWork W2038344677 @default.

• next