Quantum Simulations of Materials and Biological Systems

ISBN 10: 9400749473 / ISBN 13: 9789400749474

Verlag: Springer, 2012

Beschreibung

Bestandsnummer des Verkäufers I-9789400749474

Bibliografische Details

• Titel: Quantum Simulations of Materials and Biological Systems
• Verlag: Springer
• Erscheinungsjahr: 2012
• Sprache: Englisch
• ISBN-10: 9400749473
• ISBN-13: 9789400749474
• Einband: Hardcover
• Zustand: New

Über diesen Titel

Inhaltsangabe

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.