Improving the efficiency of computation of free energy differences

Improving the efficiency of computation of free energy differences

There has been a recent focus on investigating the properties of semi-conductors at the nanoscale as it is well known that the band-gap of semi-conducting materials is altered due to quantum confinement effects. The potential to fine-tune a material's properties based solely on particle size ha...

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Bibliographic Details
Main Author: Taylor, Zoe Rebecca
Format: Thesis
Language:English
Published: Curtin University 2011
Subjects:
efficiency of computation
Zinc sulfide
free energy differences
semi-conductors
Online Access:http://hdl.handle.net/20.500.11937/2424

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