Million atom molecular dynamics simulations of materials on parallel computers

Pyriya Vashishta, Rajiv K. Kalia, Wei Li, Aiichiro Nakano, Andrey Omeltchenko, Kenji Tsuruta, Jinghan Wang, Ingvar Ebbsjö

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Recent advances in computing technology-parallel computer architectures, portable software and development of robust O(N) algorithms-have revolutionized the field of computer simulation. Using the space-time multiresolution molecular dynamics algorithms it is possible to carry out multimillion atom simulations of materials in different ranges of density, temperature and uniaxial strain.

Original languageEnglish
Pages (from-to)853-863
Number of pages11
JournalCurrent Opinion in Solid State and Materials Science
Volume1
Issue number6
DOIs
Publication statusPublished - Dec 1996
Externally publishedYes

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Molecular dynamics
Atoms
Computer architecture
Computer simulation
Temperature

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Million atom molecular dynamics simulations of materials on parallel computers. / Vashishta, Pyriya; Kalia, Rajiv K.; Li, Wei; Nakano, Aiichiro; Omeltchenko, Andrey; Tsuruta, Kenji; Wang, Jinghan; Ebbsjö, Ingvar.

In: Current Opinion in Solid State and Materials Science, Vol. 1, No. 6, 12.1996, p. 853-863.

Research output: Contribution to journalArticle

Vashishta, Pyriya ; Kalia, Rajiv K. ; Li, Wei ; Nakano, Aiichiro ; Omeltchenko, Andrey ; Tsuruta, Kenji ; Wang, Jinghan ; Ebbsjö, Ingvar. / Million atom molecular dynamics simulations of materials on parallel computers. In: Current Opinion in Solid State and Materials Science. 1996 ; Vol. 1, No. 6. pp. 853-863.
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