Scalable molecular-dynamics, visualization, and data-management algorithmsfor materials simulations

Authors
Nakano, A Kalia, RK Vashishta, P
Citation
A. Nakano et al., Scalable molecular-dynamics, visualization, and data-management algorithmsfor materials simulations, COMPUT SC E, 1(5), 1999, pp. 39-47
Citations number
34
Categorie Soggetti
Multidisciplinary,"Computer Science & Engineering
Journal title
COMPUTING IN SCIENCE & ENGINEERING
ISSN journal
15219615 → ACNP
Volume
1
Issue
5
Year of publication
1999
Pages
39 - 47
Database
ISI
SICI code
1521-9615(199909/10)1:5<39:SMVADA>2.0.ZU;2-A
Abstract
Highly efficient algorithms for massively parallel computers, interactive v irtual environments for analyzing and steering simulations in real time, an d data compression and mining schemes for input/output and knowledge discov ery have led to rapid progress in large-scale molecular-dynamics simulation s involving millions of atoms. Consequently, dynamic fracture of materials with realistic microstructures can now be modeled atom-by-atom.