(Download) "Quantum Simulations of Materials and Biological Systems" by Jun Zeng, Rui-Qin Zhang & Herbert Treutlein " Book PDF Kindle ePub Free

July 23, 2021

eBook details

Title: Quantum Simulations of Materials and Biological Systems
Author : Jun Zeng, Rui-Qin Zhang & Herbert Treutlein
Release Date : January 26, 2012
Genre: Chemistry,Books,Science & Nature,Professional & Technical,Engineering,
Pages : * pages
Size : 4133 KB

Description

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 are detailed. In addition, the book reviews the recent developments of methods for protein design and engineering, as well as ligand-based drug design. 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.