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

Los Alamos National Laboratory

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

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
State	Published - Jan 1 1996

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Cite this

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title = "Million atom molecular dynamics simulations of materials on parallel computers",

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.",

author = "Pyriya Vashishta and Kalia, \{Rajiv K.\} and Wei Li and Aiichiro Nakano and Andrey Omeltchenko and Kenji Tsuruta and Jinghan Wang and Ingvar Ebbsj{\"o}",

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AU - Vashishta, Pyriya

AU - Kalia, Rajiv K.

AU - Li, Wei

AU - Nakano, Aiichiro

AU - Omeltchenko, Andrey

AU - Tsuruta, Kenji

AU - Wang, Jinghan

AU - Ebbsjö, Ingvar

PY - 1996/1/1

Y1 - 1996/1/1

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0001544778

U2 - 10.1016/S1359-0286(96)80113-6

DO - 10.1016/S1359-0286(96)80113-6

M3 - Article

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VL - 1

SP - 853

EP - 863

JO - Current Opinion in Solid State and Materials Science

JF - Current Opinion in Solid State and Materials Science

IS - 6

ER -

Million atom molecular dynamics simulations of materials on parallel computers

Abstract

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