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 journalArticlepeer-review

13 Citations (Scopus)


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
Issue number6
Publication statusPublished - Dec 1996
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)


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