Skip to content

Computational Methods for Large Systems
Stock Photo: Cover May Be Different

Computational Methods for Large Systems Hardback - - 1st Edition

by Jeffrey R. Reimers

  • New
  • Hardcover

Description

John Wiley & Sons , pp. 688 Index. Hardback. New.
New
NZ$239.41
NZ$6.61 Shipping to USA
Standard delivery: 9 to 14 days
More Shipping Options
Ships from Cold Books (New York, United States)

About Cold Books New York, United States

Biblio member since 2012
Seller rating: This seller has earned a 5 of 5 Stars rating from Biblio customers.

Terms of Sale: 30 day return guarantee, with full refund including shipping costs for up to 30 days after delivery if an item arrives misdescribed or damaged.

Browse books from Cold Books

Details

  • Title Computational Methods for Large Systems
  • Author Jeffrey R. Reimers
  • Binding Hardback
  • Edition number 1st
  • Edition 1
  • Condition New
  • Pages 688
  • Volumes 1
  • Language ENG
  • Publisher John Wiley & Sons
  • Date pp. 688 Index
  • Illustrated Yes
  • Features Bibliography, Illustrated, Index, Table of Contents
  • Bookseller's Inventory # 6776190
  • ISBN 9780470487884 / 0470487887
  • Weight 2.6 lbs (1.18 kg)
  • Dimensions 9.3 x 6.3 x 1.5 in (23.62 x 16.00 x 3.81 cm)
  • Library of Congress subjects Biotechnology - Data processing, Nanostructured materials - Computer
  • Library of Congress Catalog Number 2010028359
  • Dewey Decimal Code 620.502

From the rear cover

Learn how to choose and apply the best electronic structure methods to solve real-world problems in nanotechnology and biotechnology

There are a variety of computational methods to choose from to solve almost any electronic structure problem in nanotechnology and biotechnology, including problems involving complex systems with hundreds of thousands of atoms. This book presents the best and most useful of these computational methods, carefully explaining each one's strengths and weaknesses. Moreover, a broad range of practical applications are developed and then demonstrated with the use of detailed examples, helping you choose the best method for your particular needs.

Each chapter of Computational Methods for Large Systems has been written by one or more leading experts in the development and application of computational methods. Chapters are logically organized into four parts:

  • Part A, DFT: The Basic Workhorse, explores the use of density-functional theory (DFT) for performing electronic structure computations on ground and excited states of large biological, chemical, and physical systems.

  • Part B, Higher Accuracy Methods, presents methods that can be used when modern DFT approaches don't work, including quantum Monte Carlo, coupled cluster calculations, and renormalized band-structure theory.

  • Part C, More Economical Methods, examines methods such as semi-empirical DFT and Hartree-Fock-based approaches as well as empirical Hubbard models that enable researchers to work with larger systems at more approximate levels.

  • Part D, Advanced Applications, applies electronic structure methods to nanoparticle and graphene structure, photobiology, control of polymerization processes, non-linear optics, nanoparticle optics, heterogeneous catalysis, spintronics, and molecular electronics.

With extensive references to the primary literature, Computational Methods for Large Systems is an ideal reference for computational scientists as well as a text for graduate students in computational chemistry, physics, biochemistry, biotechnology, materials science, and nanoscience.

About the author

JEFFREY R. REIMERS, PhD, is an Australian Research Council Professorial Research Fellow and works in the fields of molecular electronics and photosynthesis at The University of Sydney. Recently, he has been involved in the design and construction of single-molecule devices and has instituted a scanning-tunneling microscopy laboratory. Dr. Reimers has developed computational methods to solve problems involving strong electron-vibration coupling in biological photosynthesis, electron transport, and metal-organic chemistry.