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Virtual Synthesis of Nanosystems by Design

From First Principles to Applications

1st Edition - February 17, 2015

Author: Liudmila Pozhar

Language: English
Hardback ISBN:
9 7 8 - 0 - 1 2 - 3 9 6 9 8 4 - 2
eBook ISBN:
9 7 8 - 0 - 1 2 - 3 9 7 2 8 9 - 7

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 fi… Read more

Virtual Synthesis of Nanosystems by Design

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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.