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

doi:10.1016/S1359-0286(96)80113-6

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 journal › Article › peer-review

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 language	English
Pages (from-to)	853-863
Number of pages	11
Journal	Current Opinion in Solid State and Materials Science
Volume	1
Issue number	6
DOIs	https://doi.org/10.1016/S1359-0286(96)80113-6
Publication status	Published - Dec 1996
Externally published	Yes

ASJC Scopus subject areas

Materials Science(all)

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10.1016/S1359-0286(96)80113-6

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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 journal › Article › peer-review

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