Virtual Synthesis of Nanosystems by Design: From First Principles to Applications

By Liudmila Pozhar

This is the only book on a novel fundamental method that uses quantum many body theoretical approach to synthesis of nanomaterials by design. This approach allows the first-principle prediction of transport properties of strongly spatially non-uniform systems, such as small QDs and molecules, where currently used DFT-based methods either fail, or have to use empirical parameters. The book discusses modified algorithms that allow mimicking experimental synthesis of novel nanomaterials---to compare the results with the theoretical predictions--and provides already developed electronic templates of sub-nanoscale systems and molecules that can be used as components of larger materials/fluidic systems.

• Format: Hardcover
• Language: English
• ISBN: 0123969840
• ISBN13: 9780123969842
• Release Date: March 2015
• Publisher: Elsevier
• Length: 382 Pages
• Weight: 1.60 lbs.
• Dimensions: 0.9" x 6.1" x 9.1"