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Implementation of the force decomposition machine for molecular dynamics simulations

✍ Scribed by Borštnik, Urban; Miller, Benjamin T.; Brooks, Bernard R.; Janežič, Dušanka

Book ID
119299715
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
471 KB
Volume
38
Category
Article
ISSN
1093-3263

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📜 SIMILAR VOLUMES

The distributed diagonal force decomposi
The distributed diagonal force decomposition method for parallelizing molecular dynamics simulations
✍ Urban Borštnik; Benjamin T. Miller; Bernard R. Brooks; Dušanka Janežič 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 547 KB

## Abstract Parallelization is an effective way to reduce the computational time needed for molecular dynamics simulations. We describe a new parallelization method, the distributed‐diagonal force decomposition method, with which we extend and improve the existing force decomposition methods. Our n