Direct dynamics simulations

William L. Hase; Kihyung Song; Mark S. Gordon

doi:10.1109/MCISE.2003.1208640

Direct dynamics simulations

William L. Hase, Kihyung Song, Mark S. Gordon

Chemistry and Biochemistry

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

84 Scopus citations

Abstract

Direct dynamic simulations are discussed. These simulations focus on more accurate calculations for larger systems which results in more powerful software and hardware. It was concluded that these simulations can be enhanced by using linear scaling and semiempirical electronic structure methods.

Original language	English
Pages (from-to)	36-44
Number of pages	9
Journal	Computing in Science and Engineering
Volume	5
Issue number	4
DOIs	https://doi.org/10.1109/MCISE.2003.1208640
State	Published - Jul 2003

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title = "Direct dynamics simulations",

abstract = "Direct dynamic simulations are discussed. These simulations focus on more accurate calculations for larger systems which results in more powerful software and hardware. It was concluded that these simulations can be enhanced by using linear scaling and semiempirical electronic structure methods.",

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AU - Gordon, Mark S.

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Direct dynamics simulations

Abstract

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