Nano Science and Technology InstituteNano Science and Technology Institute
Nano Science and Technology Institute 2003 NSTI Nanotechnology Conference & Trade Show
Nanotech 2003
BioNano 2003
Program
Sunday
Monday
Tuesday
Wednesday
Thursday
Index of Authors
2003 Sub Sections
Proceedings
Organization
Press Room
Sponsors
Exhibitors
Venue
Organizations
NSTI Events
Subscribe
Site Map
Nanotech Proceedings
Nanotechnology Proceedings
Supporting Organizations
Supporting Organizations
Event Contact
696 San Ramon Valley Blvd., Ste. 423
Danville, CA 94526
Ph: (925) 353-5004
Fx: (925) 886-8461
E-mail:
 
 

Modeling and Informatics for the development of nano-materials and devices

M.J. Doyle, G. Goldbeck-Wood, D. Nicolaides and A. Schlijper
Accelrys, UK

Keywords: modeling, materials informatics, formulation, QSAR, combinatorial design

Abstract:
The rapid development and excitement about nanotechnology is largely due to a combination of two important factors: (1) the realisation that properties at the nanoscale are significantly different, and often much more ‘favorable’ to those of the macroscopic bulk, and (2) that such nano-materials and devices can actually be manufactured and investigated with ‘readily available’ methods. Obvious questions arising from the two points above are: what are those properties, what methods can I employ to determine them, and what types of nano-materials should we make and study with our methods. It is clear that considerable challenges remain, but also that tremendous opportunities arise. In this presentation, we will explore what materials modeling and materials informatics software can contribute. Property modeling at the length and time scales relevant to nanotechnology has been the focus of modeling software development for more than 20 years. Commercially available state-of-the-art software makes powerful and accurate tools available to the researcher from a PC environment, and can be used to investigate a wide range of situations, predict properties and understand behaviour of materials and devices. A big challenge for the nanotechnologist is the very large space of possible material parameters and processing routes. Recent developments in Materials Informatics provide the researcher with crucial knowledge management and data mining tools for better, cheaper and faster materials development. Design of Experiment, Combinatorial and High Throughput materials design software help scientists to focus research and development on the most promising areas. Materials modeling and informatics can greatly help in the exploration of this large space, and help to realise the potential of nanotechnology much more quickly and cost effectively.

NSTI Nanotech 2003 Conference Technical Program Abstract

 
Featured Sponsors
Nanotech Sponsors
News Headlines
NSTI Online Community
 
 

© Nano Science and Technology Institute, all rights reserved.
Terms of use | Privacy policy | Contact