Million atom molecular dynamics simulations of materials on parallel computers

Recent advances in computing tecnology — 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 at...

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Bibliographic Details
Published in:	Current opinion in solid state & materials science Vol. 1; no. 6; pp. 853 - 863
Main Authors:	Vashishta, Pyriya, Kalia, Rajiv K, Li, Wei, Nakanos, Aiichiro, Omeltchenko, Andrey, Tsuruta, Kenji, Wang, Jinghan, Ebbsjö, Ingvar
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 01-12-1996
Subjects:	RCMM reduced cell multipole method MTS multiple time-step scheme MEMS micro-electro mechanical systems QCO quartz crystal oscillators CCLMS Concurrent computing laboratory for materials simulations of Louisiana State Unoversity FMM fast multipole method MD molecular dynamics
Online Access:	Get full text
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Summary:	Recent advances in computing tecnology — 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.
ISSN:	1359-0286
DOI:	10.1016/S1359-0286(96)80113-6