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

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

by Pozhar, Liudmila
No customer reviews yet ISBN 9780123969842

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.

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Pub dateFeb 17, 2015
ISBN-100123969840
ISBN-139780123969842
LanguageEnglish
Last updated 2026-03-13 18:46
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