Skip to content
Open global navigation

Cambridge University Press

AcademicLocation selectorSearch toggleMain navigation toggle

Your Cart


You have 0 items in your cart.

Register Sign in Wishlist

Computational Nanoscience
Applications for Molecules, Clusters, and Solids

$99.99 (P)

  • Date Published: May 2011
  • availability: In stock
  • format: Hardback
  • isbn: 9781107001701

$99.99 (P)

Add to cart Add to wishlist

Other available formats:

Looking for an examination copy?

If you are interested in the title for your course we can consider offering an examination copy. To register your interest please contact providing details of the course you are teaching.

Product filter button
About the Authors
  • Computer simulation is an indispensable research tool in modeling, understanding and predicting nanoscale phenomena. However, the advanced computer codes used by researchers are too complicated for graduate students wanting to understand computer simulations of physical systems. This book gives students the tools to develop their own codes. Describing advanced algorithms, the book is ideal for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory. It contains a wide variety of practical examples of varying complexity to help readers at all levels of experience. An algorithm library in Fortran 90, available online at, implements the advanced computational approaches described in the text to solve physical problems.

    • Gives students the tools needed to understand advanced computer codes and develop their own codes
    • Contains a wide variety of practical examples of varying complexity to help readers at all levels of experience
    • An algorithm library in Fortran 90, available at, gives readers the necessary software tools
    Read more

    Customer reviews

    Not yet reviewed

    Be the first to review

    Review was not posted due to profanity


    , create a review

    (If you're not , sign out)

    Please enter the right captcha value
    Please enter a star rating.
    Your review must be a minimum of 12 words.

    How do you rate this item?


    Product details

    • Date Published: May 2011
    • format: Hardback
    • isbn: 9781107001701
    • length: 444 pages
    • dimensions: 254 x 181 x 25 mm
    • weight: 1.01kg
    • contains: 175 b/w illus. 33 tables
    • availability: In stock
  • Table of Contents

    Part I. 1D Problems:
    1. Variational solution of the Schrödinger equation
    2. Solution of bound state problems using a grid
    3. Solution of the Schrödinger equation for scattering states
    4. Periodic potentials: band structure in 1D
    5. Solution of time-dependent problems in quantum mechanics
    6. Solution of Poisson's equation
    Part II. 2D and 3D Systems:
    7. 3D real space approach: from quantum dots to Bose–Einstein condensates
    8. Variational calculations in 2D: quantum dots
    9. Variational calculations in 3D: atoms and molecules
    10. Monte Carlo calculations
    11. Molecular dynamics simulations
    12. Tight binding approach to electronic structure calculations
    13. Plane wave density functional calculations
    14. Density functional calculations with atomic orbitals
    15. Real-space density functional calculations
    16. Time-dependent density functional calculations
    17. Scattering and transport in nanostructures
    18. Numerical linear algebra
    Appendix: code descriptions

  • Resources for

    Computational Nanoscience

    Kálmán Varga, Joseph A. Driscoll

    General Resources

    Welcome to the resources site

    Here you will find free-of-charge online materials to accompany this book. The range of materials we provide across our academic and higher education titles are an integral part of the book package whether you are a student, instructor, researcher or professional.

    Find resources associated with this title

    Type Name Unlocked * Format Size

    Showing of

    Back to top

    *This title has one or more locked files and access is given only to instructors adopting the textbook for their class. We need to enforce this strictly so that solutions are not made available to students. To gain access to locked resources you either need first to sign in or register for an account.

    These resources are provided free of charge by Cambridge University Press with permission of the author of the corresponding work, but are subject to copyright. You are permitted to view, print and download these resources for your own personal use only, provided any copyright lines on the resources are not removed or altered in any way. Any other use, including but not limited to distribution of the resources in modified form, or via electronic or other media, is strictly prohibited unless you have permission from the author of the corresponding work and provided you give appropriate acknowledgement of the source.

    If you are having problems accessing these resources please email

  • Instructors have used or reviewed this title for the following courses

    • Introduction to nanophysics;
    • Materials Research
    • Mathematical Methods of Theoretical Physics ll
    • Principles in Physical Chemistry: Theory to Experiment
  • Authors

    Kálmán Varga, Vanderbilt University, Tennessee
    Kálmán Varga is an Assistant Professor in the Department of Physics and Astronomy, Vanderbilt University. His main research interest is computational nanoscience, focusing on developing novel computational methods for electronic structure calculations.

    Joseph A. Driscoll, Bradley University, Illinois
    Joseph Driscoll has a PhD in Electrical Engineering from Vanderbilt University, where his research was in the area of intelligent robotics. He has worked in industry as a software developer in the areas of Internet content delivery and bioinformatics. He was an Assistant Professor of Computer Science at Middle Tennessee State University. Dr Driscoll also has a PhD in Physics, where his interests include theoretical and computational physics of nanoscale systems. In 2011 he moved to Bradley University, where he was first an Assistant Professor of Engineering Physics, and then became an Assistant Professor of Electrical and Computer Engineering. Dr Driscoll's primary research areas are intelligent robotics, high-performance computing, and MEMS/NEMS (micro/nano electromechanical system) device simulation. He works with neural networks, genetic algorithms, computer vision, and other forms of artificial intelligence. Many types of robots are used in his experiments, including flying, walking, and wheeled robots.

Sign In

Please sign in to access your account


Not already registered? Create an account now. ×

Sorry, this resource is locked

Please register or sign in to request access. If you are having problems accessing these resources please email

Register Sign in
Please note that this file is password protected. You will be asked to input your password on the next screen.

» Proceed

You are now leaving the Cambridge University Press website. Your eBook purchase and download will be completed by our partner Please see the permission section of the catalogue page for details of the print & copy limits on our eBooks.

Continue ×

Continue ×

Continue ×

Find content that relates to you

Back to top

Are you sure you want to delete your account?

This cannot be undone.

Cancel Delete

Thank you for your feedback which will help us improve our service.

If you requested a response, we will make sure to get back to you shortly.

Please fill in the required fields in your feedback submission.