{"entities":{"Q1346550":{"pageid":1357289,"ns":120,"title":"Item:Q1346550","lastrevid":68521254,"modified":"2026-04-13T00:16:18Z","type":"item","id":"Q1346550","labels":{"en":{"language":"en","value":"Fast parallel algorithms for short-range molecular dynamics"}},"descriptions":{"en":{"language":"en","value":"scientific article; zbMATH DE number 740641"}},"aliases":{},"claims":{"P31":[{"mainsnak":{"snaktype":"value","property":"P31","hash":"fd5912e4dab4b881a8eb0eb27e7893fef55176ad","datavalue":{"value":{"entity-type":"item","numeric-id":56887,"id":"Q56887"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1346550$4B5C8236-931A-4074-A4C2-7C6EC45462FD","rank":"normal"}],"P159":[{"mainsnak":{"snaktype":"value","property":"P159","hash":"f583439fe9699b24e356de376e4f69e1ddb2f6dc","datavalue":{"value":{"text":"Fast parallel algorithms for short-range molecular dynamics","language":"en"},"type":"monolingualtext"},"datatype":"monolingualtext"},"type":"statement","id":"Q1346550$8A4C637A-2866-4F72-A8EA-1C85E962E6FE","rank":"normal"}],"P225":[{"mainsnak":{"snaktype":"value","property":"P225","hash":"2bae1908fad8baf50ffb65c6c43152b62b3c363e","datavalue":{"value":"0830.65120","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$2A03F4FE-1C0E-4B0C-9DB3-B903E6DFDEBC","rank":"normal"}],"P16":[{"mainsnak":{"snaktype":"value","property":"P16","hash":"30357d01e6e5a7b28a7518de63a0978b73923547","datavalue":{"value":{"entity-type":"item","numeric-id":1268821,"id":"Q1268821"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1346550$5AA458D3-E8D0-4886-98C1-85E6EBBD4AFE","rank":"normal"}],"P200":[{"mainsnak":{"snaktype":"value","property":"P200","hash":"6cceddc06ad0ad76fac52687780769138ba9c5f9","datavalue":{"value":{"entity-type":"item","numeric-id":164235,"id":"Q164235"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1346550$97A6EEA9-37A7-49A6-A3CC-4BA54A74F5CA","rank":"normal"}],"P28":[{"mainsnak":{"snaktype":"value","property":"P28","hash":"0bc5d1963845e10c2efccbe47fceacea0346b6ee","datavalue":{"value":{"time":"+1995-04-05T00:00:00Z","timezone":0,"before":0,"after":0,"precision":11,"calendarmodel":"http://www.wikidata.org/entity/Q1985727"},"type":"time"},"datatype":"time"},"type":"statement","id":"Q1346550$99207445-0E22-4BE6-9507-E9F90EF412BD","rank":"normal"}],"P205":[{"mainsnak":{"snaktype":"value","property":"P205","hash":"39f4d11ee68ebf98a91ac1ca30801c14c3216b9e","datavalue":{"value":"https://digital.library.unt.edu/ark:/67531/metadc1389173/","type":"string"},"datatype":"url"},"type":"statement","id":"Q1346550$CC3E1A74-3363-4E79-96B4-2FD96A20E92C","rank":"normal"}],"P1448":[{"mainsnak":{"snaktype":"value","property":"P1448","hash":"28ee781ab08a8fa3b44198e7879e0377c4444826","datavalue":{"value":"The paper presents three types of algorithms for the parallel computation of classical molecular dynamics. They are especially suited to short- range inter-molecular forces for which a cut-off range exists or can be imposed. One method allocates a defined subset of particles to each processor; another assigns each with a fixed subset of intermolecular forces and the last assigns a fixed spatial domain to each processor.   The algorithms can be realized on distributed-memory machines with independent processors having suitable data flow capacities between them. Computations on a number of parallel computers are presented for a typical Lennard-Jones two-body potential, with sizes ranging from 500 up to 100,000,000 molecules. With current parallel machines the algorithms are seen to be competitive with the best vector Cray Y-MP and C90 algorithms, even in small size cases.   For large problems the spatial algorithm can run at parallel efficiencies of 90\\%. Relative merits of the algorithms and their application to more complicated dynamics are discussed.","type":"string"},"datatype":"string"},"type":"statement","id":"Q1346550$4221EEE3-44BD-4693-A411-B8F52ADC29B5","rank":"normal"}],"P226":[{"mainsnak":{"snaktype":"value","property":"P226","hash":"da48a66db58de390936830f230e3456a69d68c90","datavalue":{"value":"65Z05","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$E6AF3641-ADDE-40CB-8393-1D8C372E9F90","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"8a7edc01538ef78e7e423d9c49f622de0faa5a14","datavalue":{"value":"65Y05","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$39B47859-3727-473E-A895-15EBDCECE02E","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"a66c6d7517563f3cd87d9c6a1ebd8759b79dc322","datavalue":{"value":"35Q72","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$7EA0EC56-8CCD-4485-AB3F-A550D7F1FCBB","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"59c2fd91f5286a2b39be8024c4ed9a16b068829c","datavalue":{"value":"82C22","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$127C922E-E632-45E8-86C0-B9C8308EAFC0","rank":"normal"}],"P1451":[{"mainsnak":{"snaktype":"value","property":"P1451","hash":"227fc4dce2d54b278d9e5a35c1b41123e8f9bc8c","datavalue":{"value":"740641","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$63480E85-6552-4803-B32B-667307CFF69B","rank":"normal"}],"P1450":[{"mainsnak":{"snaktype":"value","property":"P1450","hash":"46aac2a3ceba176c8399d7c932d0b5caa66d1e51","datavalue":{"value":"short-range molecular dynamics","type":"string"},"datatype":"string"},"type":"statement","id":"Q1346550$D982D0A3-A905-4EFA-B4C1-43F088960521","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"d607627523840bd0bf4407097f29a3a99ef4a0a8","datavalue":{"value":"algorithms","type":"string"},"datatype":"string"},"type":"statement","id":"Q1346550$D971D7FB-D60B-446F-BA9C-B3BCD6829106","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"431ad0527b194c43bf7b26fc7f3a3705c49e72a4","datavalue":{"value":"parallel computation","type":"string"},"datatype":"string"},"type":"statement","id":"Q1346550$228126F4-8A2C-49A7-BFD5-29ACB1543274","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"b0dc198196a3263e5d92ad861322431821b13b53","datavalue":{"value":"Lennard-Jones two-body potential","type":"string"},"datatype":"string"},"type":"statement","id":"Q1346550$10CAC3C0-D2FF-4E80-9BA3-8958EABAD5FC","rank":"normal"}],"P12":[{"mainsnak":{"snaktype":"value","property":"P12","hash":"bcb0cf7d1d68b6d482e19a6369a9ad17a49cdba4","datavalue":{"value":"Q112663975","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$231C090F-9F79-4821-BC60-721099B4E993","rank":"normal"}],"P1447":[{"mainsnak":{"snaktype":"value","property":"P1447","hash":"9fc9f40d730fcfa43a2ef670ee37a37b5a7c3e73","datavalue":{"value":{"entity-type":"item","numeric-id":754597,"id":"Q754597"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1346550$472DB9B6-A94B-4FD4-A63A-7863E9F704C9","rank":"normal"}],"P1460":[{"mainsnak":{"snaktype":"value","property":"P1460","hash":"57f7fea50d2ce1b39b695c4a1313582eed405e38","datavalue":{"value":{"entity-type":"item","numeric-id":5976449,"id":"Q5976449"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q1346550$1B48DBB4-0888-41EF-8808-27CB62EC4F42","rank":"normal"}],"P388":[{"mainsnak":{"snaktype":"value","property":"P388","hash":"422f9e1b4828a1d26961eeb3f8082b80c544d978","datavalue":{"value":"W2019465613","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$2E30562E-4701-4089-9BDC-295C05728345","rank":"normal"}],"P27":[{"mainsnak":{"snaktype":"value","property":"P27","hash":"f0ee395a5271006f8c81f7f117e2c00723c9396d","datavalue":{"value":"10.1006/JCPH.1995.1039","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q1346550$E201235B-3971-496F-B4B9-8BDEC919018C","rank":"normal"}],"P1643":[{"mainsnak":{"snaktype":"value","property":"P1643","hash":"3fed34ffb57ce029b0d7c2480991040c18110a7d","datavalue":{"value":{"entity-type":"item","numeric-id":1578206,"id":"Q1578206"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"4aa73d45bc2431500b7d867534bfdd91153773c4","datavalue":{"value":{"amount":"+0.8654131293296814","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1346550$E2565C55-D82B-42C8-BFB0-27A20D3B1983","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"a4b240eb50494f7a656b38f03f1ff9d0c496c461","datavalue":{"value":{"entity-type":"item","numeric-id":4317611,"id":"Q4317611"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"18da6a0e41d91d210f5c65d2a1ba4cc679599a70","datavalue":{"value":{"amount":"+0.8375676274299622","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1346550$76335E8C-C337-488C-8DD9-6E58E6811485","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"8f1ebf2f45539966c2eee7b081f471ae9d7d87d9","datavalue":{"value":{"entity-type":"item","numeric-id":1299655,"id":"Q1299655"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"ae50f059bbb12586429fc3a794b3d6c8e25c4445","datavalue":{"value":{"amount":"+0.8370153307914734","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1346550$8D160CC7-5D96-4006-83E8-E3C33ACFB0A1","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"ed6f269159ecc2ebace7034d0b906e6b67663aec","datavalue":{"value":{"entity-type":"item","numeric-id":753469,"id":"Q753469"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"1d9d296285d47e5fc1a7c4989274e0c588e9c488","datavalue":{"value":{"amount":"+0.8366059064865112","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1346550$D264CA7C-FEC0-444B-AD1D-AEFD84B14964","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"0a58ca98fa658392c6ec7ed5f3a390655c25aaaf","datavalue":{"value":{"entity-type":"item","numeric-id":1285681,"id":"Q1285681"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"c6ba469c7ed2340b7b060bfd9cea73c19dec4ec5","datavalue":{"value":{"amount":"+0.8332187533378601","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q1346550$B70B0290-79FC-4D85-B8BB-A3ACF8126700","rank":"normal"}]},"sitelinks":{"mardi":{"site":"mardi","title":"Fast parallel algorithms for short-range molecular dynamics","badges":[],"url":"https://portal.mardi4nfdi.de/wiki/Fast_parallel_algorithms_for_short-range_molecular_dynamics"}}}}}