Quantum Simulations of Materials and Biological Systems

Jun Zeng

ISBN 10: 9400794126 / ISBN 13: 9789400794122

Published by Springer, Springer, 2014

About this Item

Druck auf Anfrage Neuware - Printed after ordering - 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.

Seller Inventory # 9789400794122

Bibliographic Details

• Title: Quantum Simulations of Materials and Biological Systems
• Publisher: Springer, Springer
• Publication Date: 2014
• Language: English
• ISBN 10: 9400794126
• ISBN 13: 9789400794122
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 235W x 155H x 12D millimeters 235 millimeters width by 155 millimeters height by 12 millimeters depth
• Weight: 324 grams

About this title

Synopsis

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.