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Quantum simulations of materials and biological systems [Elektronski vir]International Symposium on Computational Sciences (1st ; 2011 ; Shanghai, China)Quantum Simulations of Materials and Biological Systems features contributions from leading world experts in the fields of density functional theory (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 and electronic properties of nanoparticles, X-ray structure refinement of proteins, the catalytic process of enzymes and photochemistry of phytochromes aType of material - e-bookPublication and manufacture - Dordrecht ; New York : Springer, ©2012Language - englishISBN - 978-94-007-4948-1; 94-007-4948-1COBISS.SI-ID - 1545314015
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SpringerLink e-books 2008-2012Celotno besedilo dostopno za uporabnike SpringerLink slovenskega konzorcija neprofitnih institucij
Full text accessible to the users of SpringerLink Slovenian Consortium of Non-Profit Institutions
DOI
Author
International Symposium on Computational Sciences
Other authors
Zeng, Jun |
Zhang, Rui-Qin |
Treutlein, Herbert R.
Topics
Materials |
Mathematical models |
Congresses |
Computational biology |
Mathematical models |
Congresses |
Density functionals |
Congresses |
Science des matériaux |
Chimie |
Electronic books
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