Large-scale molecular dynamics simulations of self-assembling systems

Michael L. Klein, Wataru Shinoda

Research output: Contribution to journalReview articlepeer-review

354 Citations (Scopus)

Abstract

Relentless increases in the size and performance of multiprocessor computers, coupled with new algorithms and methods, have led to novel applications of simulations across chemistry. This Perspective focuses on the use of classical molecular dynamics and so-called coarse-grain models to explore phenomena involving self-assembly in complex fluids and biological systems.

Original languageEnglish
Pages (from-to)798-800
Number of pages3
JournalScience
Volume321
Issue number5890
DOIs
Publication statusPublished - Aug 8 2008
Externally publishedYes

ASJC Scopus subject areas

  • General

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