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

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

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ASJC Scopus subject areas

Materials Science(all)

Cite this

Vashishta, P., Kalia, R. K., Li, W., Nakano, A., Omeltchenko, A., Tsuruta, K., Wang, J., & Ebbsjö, I. (1996). Million atom molecular dynamics simulations of materials on parallel computers. Current Opinion in Solid State and Materials Science, 1(6), 853-863. https://doi.org/10.1016/S1359-0286(96)80113-6

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Access to Document

10.1016/S1359-0286(96)80113-6