Titlebook: Quantum Simulations of Materials and Biological Systems; Jun Zeng,Rui-Qin Zhang,Herbert R. Treutlein Book 2012 Springer Science+Business M

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sind diese Gebilde nicht Organisationen oder Institutionen, sondern sie zeigen — analytisch gesehen — mehr oder weniger viele und deutlich ausgeprägte Merkmale des einen oder anderen Begriffstyps, d.h. sie haben mehr oder weniger Organisations- oder Institutionencharakter. Das mag zum Teil auch dahe

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Quantum Simulations of Materials and Biological Systems978-94-007-4948-1

OWL

Book 2012gn. Some insightful information about the 2011 International Symposium on Computational Sciences is also provided..Quantum Simulations of Materials and Biological Systems. is aimed at faculties and researchers in the fields of computational physics, chemistry and biology, as well as at the biotech and pharmaceutical industries.  .

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Book 2012 (DFT) and its applications to material and biological systems. .The recent developments of correlation functionals, implementations of Time-dependent algorithm into DFTB+ method are presented. The applications of DFT method to large materials and biological systems such as understanding of optical

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Principles and Applications of Hybrid Quantum Mechanical and Molecular Mechanical Methodsnics. In this chapter, some fundamental principles of QM/MM are addressed, and its applications to the simulation of enzymatic systems are also presented. Finally, some perspectives of this method will be discussed.

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Quantum Transport Simulations Based on Time Dependent Density Functional Theoryars. Energy based approaches in the spirit of Landauer theory are well established in this field, but recently also methods that aim at the solution of the time dependent many electron problem become increasingly popular and highlight conduction as a dynamical process. In the first part of this chap

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