Matches in SemOpenAlex for { <https://semopenalex.org/work/W2896435814> ?p ?o ?g. }
Showing items 1 to 98 of
98
with 100 items per page.
- W2896435814 endingPage "7" @default.
- W2896435814 startingPage "1" @default.
- W2896435814 abstract "Abstract Crystal structure prediction is a new dynamically developing field. Two main types of crystal structure prediction methods exist: (1) based on global optimization and (2) based on data mining. It seems promising to hybridize data mining and global optimization techniques. The former generally involve no empirical information and are truly predictive, the latter rely on the databases of existing crystal structures, and are relatively fast, but prone to error, because the databases are far from complete. Furthermore, the theorist’s dream is to be as little dependent on empirical data as possible and be always capable of predicting new structures, not contained in the databases. Here we present an approach to generate an infinite number of crystal structures from a finite set of idealized periodic nets. The resulting structures are highly ordered, possess nontrivial symmetries, and often low energy. Topologically generated structures can be used for initializing evolutionary crystal structure prediction calculations, or on their own — as an extended data mining approach. The efficiency of the proposed approach in both scenarios is confirmed by a series of tests, which we also present here. As an additional enhancement to evolutionary algorithm we introduce a technique for adjusting fractions of variation operators on the fly. Tests show significant performance improvements due to both of these developments." @default.
- W2896435814 created "2018-10-26" @default.
- W2896435814 creator A5027557042 @default.
- W2896435814 creator A5038015224 @default.
- W2896435814 creator A5071557410 @default.
- W2896435814 date "2019-03-01" @default.
- W2896435814 modified "2023-09-27" @default.
- W2896435814 title "Topology-based crystal structure generator" @default.
- W2896435814 cites W1516459493 @default.
- W2896435814 cites W1856924726 @default.
- W2896435814 cites W1983077902 @default.
- W2896435814 cites W1985621016 @default.
- W2896435814 cites W1990407488 @default.
- W2896435814 cites W2007618885 @default.
- W2896435814 cites W2012700578 @default.
- W2896435814 cites W2024330948 @default.
- W2896435814 cites W2032966107 @default.
- W2896435814 cites W2034942401 @default.
- W2896435814 cites W2058742631 @default.
- W2896435814 cites W2065586875 @default.
- W2896435814 cites W2069407997 @default.
- W2896435814 cites W2086702546 @default.
- W2896435814 cites W2097109036 @default.
- W2896435814 cites W2099821681 @default.
- W2896435814 cites W2100689957 @default.
- W2896435814 cites W2102940758 @default.
- W2896435814 cites W2112845989 @default.
- W2896435814 cites W2122399501 @default.
- W2896435814 cites W2128123915 @default.
- W2896435814 cites W2129328464 @default.
- W2896435814 cites W2130479394 @default.
- W2896435814 cites W2139371702 @default.
- W2896435814 cites W2149655632 @default.
- W2896435814 cites W2152152303 @default.
- W2896435814 cites W2328906361 @default.
- W2896435814 cites W2330266625 @default.
- W2896435814 cites W3104613491 @default.
- W2896435814 cites W3105535058 @default.
- W2896435814 cites W4231244676 @default.
- W2896435814 doi "https://doi.org/10.1016/j.cpc.2018.09.016" @default.
- W2896435814 hasPublicationYear "2019" @default.
- W2896435814 type Work @default.
- W2896435814 sameAs 2896435814 @default.
- W2896435814 citedByCount "66" @default.
- W2896435814 countsByYear W28964358142018 @default.
- W2896435814 countsByYear W28964358142019 @default.
- W2896435814 countsByYear W28964358142020 @default.
- W2896435814 countsByYear W28964358142021 @default.
- W2896435814 countsByYear W28964358142022 @default.
- W2896435814 countsByYear W28964358142023 @default.
- W2896435814 crossrefType "journal-article" @default.
- W2896435814 hasAuthorship W2896435814A5027557042 @default.
- W2896435814 hasAuthorship W2896435814A5038015224 @default.
- W2896435814 hasAuthorship W2896435814A5071557410 @default.
- W2896435814 hasConcept C114614502 @default.
- W2896435814 hasConcept C115624301 @default.
- W2896435814 hasConcept C121332964 @default.
- W2896435814 hasConcept C163258240 @default.
- W2896435814 hasConcept C184720557 @default.
- W2896435814 hasConcept C185592680 @default.
- W2896435814 hasConcept C2780992000 @default.
- W2896435814 hasConcept C33923547 @default.
- W2896435814 hasConcept C41008148 @default.
- W2896435814 hasConcept C62520636 @default.
- W2896435814 hasConcept C8010536 @default.
- W2896435814 hasConceptScore W2896435814C114614502 @default.
- W2896435814 hasConceptScore W2896435814C115624301 @default.
- W2896435814 hasConceptScore W2896435814C121332964 @default.
- W2896435814 hasConceptScore W2896435814C163258240 @default.
- W2896435814 hasConceptScore W2896435814C184720557 @default.
- W2896435814 hasConceptScore W2896435814C185592680 @default.
- W2896435814 hasConceptScore W2896435814C2780992000 @default.
- W2896435814 hasConceptScore W2896435814C33923547 @default.
- W2896435814 hasConceptScore W2896435814C41008148 @default.
- W2896435814 hasConceptScore W2896435814C62520636 @default.
- W2896435814 hasConceptScore W2896435814C8010536 @default.
- W2896435814 hasFunder F4320321079 @default.
- W2896435814 hasFunder F4320324099 @default.
- W2896435814 hasLocation W28964358141 @default.
- W2896435814 hasOpenAccess W2896435814 @default.
- W2896435814 hasPrimaryLocation W28964358141 @default.
- W2896435814 hasRelatedWork W1489883484 @default.
- W2896435814 hasRelatedWork W2000422883 @default.
- W2896435814 hasRelatedWork W2037317228 @default.
- W2896435814 hasRelatedWork W2051110467 @default.
- W2896435814 hasRelatedWork W2099634336 @default.
- W2896435814 hasRelatedWork W2356629573 @default.
- W2896435814 hasRelatedWork W2375354128 @default.
- W2896435814 hasRelatedWork W2390459957 @default.
- W2896435814 hasRelatedWork W2746742710 @default.
- W2896435814 hasRelatedWork W3200756997 @default.
- W2896435814 hasVolume "236" @default.
- W2896435814 isParatext "false" @default.
- W2896435814 isRetracted "false" @default.
- W2896435814 magId "2896435814" @default.
- W2896435814 workType "article" @default.