COMPUTER-SIMULATION OF COMPLEX STRONGLY COUPLED NANOMETER-SCALE SYSTEMS - BREAKING THE BILLION ATOM BARRIER

Authors
TUZUN RE NOID DW SUMPTER BG
Citation
Re. Tuzun et al., COMPUTER-SIMULATION OF COMPLEX STRONGLY COUPLED NANOMETER-SCALE SYSTEMS - BREAKING THE BILLION ATOM BARRIER, Computers & mathematics with applications, 35(7), 1998, pp. 93-100
Citations number
13
Categorie Soggetti
Mathematics,"Computer Science Interdisciplinary Applications",Mathematics,"Computer Science Interdisciplinary Applications
Journal title
Computers & mathematics with applications → ACNP
ISSN journal
08981221
Volume
35
Issue
7
Year of publication
1998
Pages
93 - 100
Database
ISI
SICI code
0898-1221(1998)35:7<93:COCSCN>2.0.ZU;2-1
Abstract
The capabilities of polymer science and computational chemistry are re aching a point of convergence. New computer hardware and novel computa tional methods have created opportunities to investigate new polymeric materials, as well as to model and predict their properties. The rece nt arrival of massively parallel computers and new algorithms for shar ing computational tasks among many processors now bring simulation siz es on the order of 10(9) atoms to within reasonable time limits and wi ll allow for new studies in emerging fields such as molecular nanotech nology.