About: Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software

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rdf:type	Item
description	article (en) artículu científicu (ast) wetenschappelijk artikel (nl) наукова стаття, опублікована в липні 2000 (uk) article scientifique publié en juillet 2000 (fr) im Juli 2000 veröffentlichter wissenschaftlicher Artikel (de) ശാസ്ത്ര പ്രബന്ധം (2000 ജൂലൈ മാസത്തില്‍ പ്രസിദ്ധീകരിച്ചത്) (ml)
publication date	wds:Q57746708-F4329CC2-C5A7-456E-9A52-3F5934E6E347
publication date	2000-07-01 00:00:00Z (xsd:dateTime)
cites work	wds:Q57746708-0E2FEA6A-FB2B-4230-923E-A34A70A5A179 wds:Q57746708-27EC61F4-BDE4-4113-ABBB-F9E57282972F wds:Q57746708-315DF2E4-53FF-46D5-A007-29B1D282EC1E wds:Q57746708-369B15E7-CC0A-41B5-BB10-9584CF10D1FC wds:Q57746708-45C26E48-35F2-4F76-924C-F563CC06B9B2 wds:Q57746708-6E6E633B-7F8B-467F-B4EF-E7C677B98DC3 wds:Q57746708-6F8050A1-FAA0-4D2D-A847-191DFE87C891 wds:Q57746708-771B4EF2-1F87-4F34-90A6-E6EBC036B148 wds:Q57746708-97C9EA60-4080-4C11-9192-7B8FAB212885 wds:Q57746708-AF14F117-4784-4708-993D-301ED3FE3318 wds:Q57746708-BA7104CA-444C-407C-810F-1F2A92A53720 wds:Q57746708-BF143886-4020-40CB-8102-754CDE329FAE wds:Q57746708-C082CFF6-210A-4B84-9812-08E471C8B13A wds:Q57746708-C8999CC1-0216-42D9-ACD6-B63B7549D393 wds:Q57746708-D229D45F-AEE8-4164-A407-226D2C4DFACE wds:Q57746708-D5D87DCE-B9EE-48D8-9567-D9EA9A524FC7
cites work	Self-strengthening biphasic nanoparticle assemblies with intrinsic catch bonds COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient Density-functional exchange-energy approximation with correct asymptotic behavior An all‐electron numerical method for solving the local density functional for polyatomic molecules Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients An efficient internally contracted multiconfiguration–reference configuration interaction method CHARMM: A program for macromolecular energy, minimization, and dynamics calculations Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Spin scaling of the electron-gas correlation energy in the high-density limit Perspectives on Semiempirical Molecular Orbital Theory Parallel internally contracted multireference configuration interaction Global arrays: A nonuniform memory access programming model for high-performance computers Portable tools and applications for parallel computers
author name string	wds:Q57746708-1E9DC5EA-9B23-442B-8262-4FEA17A25F6A wds:Q57746708-32123771-69A0-4DA2-ABE7-94F290DD06E9 wds:Q57746708-45117599-4626-48E9-9E05-13D53559A148 wds:Q57746708-465CD48D-033E-4CF6-B26E-7DFEBF1C9BF7 wds:Q57746708-5EC797D1-70C2-4EEC-ADD0-00DC85446099 wds:Q57746708-964F987B-E190-4224-97A5-EB741D11D71B wds:Q57746708-A6A44601-7493-44EC-A0E0-CECC436D860F wds:Q57746708-DE33E00A-67B3-46B2-81AA-72C3FAB8BA31 wds:Q57746708-F4BAC5BA-296B-4E7D-AFC8-28B9FE508E65
author name string	Thomas Huber Alistair P. Rendell Victor Milman Elena V. Akhmatskaya Ross H. Nobes Herbert A. Früchtl Andrey Bliznyuk Han Lung Paul W.-C. Kung
rdfs:label	Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software (en) Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software (nl)
skos:prefLabel	Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software (en) Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software (nl)
name	Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software (en) Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software (nl)
title	wds:Q57746708-6B6489DA-66A3-496A-A578-629477BD923E
title	Computational chemistry on Fujitsu vector–parallel processors: Development and performance of applications software (en)
page(s)	wds:Q57746708-FA580EEB-4021-499D-9684-A901CE444CB2
page(s)	887-911
instance of	wds:Q57746708-CAACBCAE-E50C-4C02-BB17-2DA78411899D
instance of	scholarly article
main subject	wds:Q57746708-11A0981D-BAD8-41CF-A66F-564A68B5F51E
main subject	computational chemistry
DBLP publication ID	wds:Q57746708-1A4D9950-A191-4641-BA72-3CA9CC858026
DBLP publication ID	https://dblp.org/rec/journals/pc/RendellBHNAFKML00
DBLP publication ID	journals/pc/RendellBHNAFKML00
published in	wds:Q57746708-37563741-5EB7-4855-AAFF-9447F63D38EF
published in	Parallel Computing
issue	wds:Q57746708-48C13260-5F32-4C81-9B18-06F5B1190F6F
volume	wds:Q57746708-4990B1D2-C322-4389-88F1-15E10FF9775B
issue	7-8
volume	26
DOI	wds:Q57746708-92874F2D-CCD1-402C-B5E9-335C3A66B7F3
DOI	http://dx.doi.org/10.1016/S0167-8191(00)00017-X
DOI	10.1016/S0167-8191(00)00017-X
maintained by WikiProject	wds:Q57746708-6698BF54-B518-4EB9-8BD3-E5324F4DBC85
maintained by WikiProject	WikiProject Mathematics
zbMATH Open document ID	wds:Q57746708-CFEFD706-BDA2-4E21-A830-94BFDDF1F41B
zbMATH Open document ID	0947.68585
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57746708

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