Matches in SemOpenAlex for { <https://semopenalex.org/work/W4378953427> ?p ?o ?g. }
- W4378953427 abstract "The many-body simulation of quantum systems is an active field of research that involves several different methods targeting various computing platforms. Many methods commonly employed, particularly coupled cluster methods, have been adapted to leverage the latest advances in modern high-performance computing. Selected configuration interaction (sCI) methods have seen extensive usage and development in recent years. However, the development of sCI methods targeting massively parallel resources has been explored only in a few research works. Here, we present a parallel, distributed memory implementation of the adaptive sampling configuration interaction approach (ASCI) for sCI. In particular, we will address the key concerns pertaining to the parallelization of the determinant search and selection, Hamiltonian formation, and the variational eigenvalue calculation for the ASCI method. Load balancing in the search step is achieved through the application of memory-efficient determinant constraints originally developed for the ASCI-PT2 method. The presented benchmarks demonstrate near optimal speedup for ASCI calculations of Cr2 (24e, 30o) with 106, 107, and 3 × 108 variational determinants on up to 16 384 CPUs. To the best of the authors' knowledge, this is the largest variational ASCI calculation to date." @default.
- W4378953427 created "2023-06-02" @default.
- W4378953427 creator A5007317870 @default.
- W4378953427 creator A5032379071 @default.
- W4378953427 creator A5034688782 @default.
- W4378953427 creator A5065784246 @default.
- W4378953427 date "2023-06-01" @default.
- W4378953427 modified "2023-10-18" @default.
- W4378953427 title "A parallel, distributed memory implementation of the adaptive sampling configuration interaction method" @default.
- W4378953427 cites W1965288006 @default.
- W4378953427 cites W1968344387 @default.
- W4378953427 cites W1971392379 @default.
- W4378953427 cites W1974224127 @default.
- W4378953427 cites W1975755183 @default.
- W4378953427 cites W1988091937 @default.
- W4378953427 cites W1989640573 @default.
- W4378953427 cites W1996641400 @default.
- W4378953427 cites W2006973305 @default.
- W4378953427 cites W2009215380 @default.
- W4378953427 cites W2009596258 @default.
- W4378953427 cites W2037365376 @default.
- W4378953427 cites W2051142108 @default.
- W4378953427 cites W2070232376 @default.
- W4378953427 cites W2073566672 @default.
- W4378953427 cites W2074499935 @default.
- W4378953427 cites W2098614082 @default.
- W4378953427 cites W2104932174 @default.
- W4378953427 cites W2154815292 @default.
- W4378953427 cites W2314016960 @default.
- W4378953427 cites W2464791347 @default.
- W4378953427 cites W2598728156 @default.
- W4378953427 cites W2610012734 @default.
- W4378953427 cites W2810875616 @default.
- W4378953427 cites W2885400989 @default.
- W4378953427 cites W2899753476 @default.
- W4378953427 cites W2903095015 @default.
- W4378953427 cites W2970821818 @default.
- W4378953427 cites W2977358950 @default.
- W4378953427 cites W2982151216 @default.
- W4378953427 cites W2988881997 @default.
- W4378953427 cites W2996644751 @default.
- W4378953427 cites W2999555012 @default.
- W4378953427 cites W3017284665 @default.
- W4378953427 cites W3046922941 @default.
- W4378953427 cites W3083776510 @default.
- W4378953427 cites W3099911994 @default.
- W4378953427 cites W3102376334 @default.
- W4378953427 cites W3102701515 @default.
- W4378953427 cites W3104616705 @default.
- W4378953427 cites W3105047985 @default.
- W4378953427 cites W3105960824 @default.
- W4378953427 cites W3106327456 @default.
- W4378953427 cites W3110816688 @default.
- W4378953427 cites W3133291824 @default.
- W4378953427 cites W3136136819 @default.
- W4378953427 cites W3136747186 @default.
- W4378953427 cites W3139445264 @default.
- W4378953427 cites W3171403059 @default.
- W4378953427 cites W3171904911 @default.
- W4378953427 cites W3172699044 @default.
- W4378953427 cites W3193988690 @default.
- W4378953427 cites W3196217836 @default.
- W4378953427 cites W4220731857 @default.
- W4378953427 cites W4283363395 @default.
- W4378953427 cites W4313280028 @default.
- W4378953427 cites W4317476933 @default.
- W4378953427 cites W4318167192 @default.
- W4378953427 cites W4365138381 @default.
- W4378953427 doi "https://doi.org/10.1063/5.0148650" @default.
- W4378953427 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37259999" @default.
- W4378953427 hasPublicationYear "2023" @default.
- W4378953427 type Work @default.
- W4378953427 citedByCount "1" @default.
- W4378953427 countsByYear W43789534272023 @default.
- W4378953427 crossrefType "journal-article" @default.
- W4378953427 hasAuthorship W4378953427A5007317870 @default.
- W4378953427 hasAuthorship W4378953427A5032379071 @default.
- W4378953427 hasAuthorship W4378953427A5034688782 @default.
- W4378953427 hasAuthorship W4378953427A5065784246 @default.
- W4378953427 hasBestOaLocation W43789534272 @default.
- W4378953427 hasConcept C120314980 @default.
- W4378953427 hasConcept C121332964 @default.
- W4378953427 hasConcept C126255220 @default.
- W4378953427 hasConcept C130787639 @default.
- W4378953427 hasConcept C133875982 @default.
- W4378953427 hasConcept C153083717 @default.
- W4378953427 hasConcept C154945302 @default.
- W4378953427 hasConcept C158693339 @default.
- W4378953427 hasConcept C173608175 @default.
- W4378953427 hasConcept C190475519 @default.
- W4378953427 hasConcept C33923547 @default.
- W4378953427 hasConcept C41008148 @default.
- W4378953427 hasConcept C459310 @default.
- W4378953427 hasConcept C62520636 @default.
- W4378953427 hasConcept C68339613 @default.
- W4378953427 hasConcept C91481028 @default.
- W4378953427 hasConceptScore W4378953427C120314980 @default.
- W4378953427 hasConceptScore W4378953427C121332964 @default.
- W4378953427 hasConceptScore W4378953427C126255220 @default.
- W4378953427 hasConceptScore W4378953427C130787639 @default.