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O(N) parallel tight binding molecular dynamics simulation of carbon nanotubes

✍ Scribed by Cem Özdoğan; Gülay Dereli; Tahir Çağın


Book ID
108314079
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
301 KB
Volume
148
Category
Article
ISSN
0010-4655

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Order-N tight-binding molecular dynamics
✍ Satoshi Itoh; Pablo Ordejón; Richard M. Martin 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 995 KB

A recently proposed order-N method for tight-binding molecular dynamics is implemented on parallel machines. The Fortran code, written for the parallel computer CM-5, uses a general message passing library, being therefore highly portable. The main subjects of this implementation, which are matrix p