DocumentCode
2406442
Title
New materials design [high energy density materials]
Author
Boatz, Jerry A. ; Gordon, Mark S. ; Hammes-Schiffer, Sharon ; Pachter, Ruth
Author_Institution
Air Force Res. Lab., Edwards AFB, CA, USA
fYear
2003
fDate
9-13 June 2003
Firstpage
11
Lastpage
15
Abstract
We report our recent results on the design of materials with controlled properties by the application of computational chemistry methods, new algorithms and scalable software.
Keywords
ab initio calculations; chemical structure; chemistry computing; infrared spectra; materials science; molecular configurations; molecular electronic states; organic compounds; perturbation theory; physics computing; spectral line intensity; vibrational states; computational chemistry; high energy density materials; polyhedral oligomeric silsesquioxanes material; polynitrogen species; scalable software; Aerospace materials; Application software; Chemistry; Crystalline materials; Laboratories; Liquid crystals; Nuclear electronics; Optical materials; Quantum computing; Rockets;
fLanguage
English
Publisher
ieee
Conference_Titel
User Group Conference, 2003. Proceedings
Print_ISBN
0-7695-1953-9
Type
conf
DOI
10.1109/DODUGC.2003.1253365
Filename
1253365
Link To Document