Molecular dynamics simulation : elementary methods / J.M. Haile.

Format:

Book

Author/Creator:

Haile, J. M.

Contributor:

Louis A. Duhring Fund.

Language:

English

Subjects (All):

Molecular dynamics--Computer simulation.

Molecular dynamics.

Causality (Physics)--Computer simulation.

Causality (Physics).

Chemistry, Physical and theoretical--Computer simulation.

Chemistry, Physical and theoretical.

Physical Description:

xvii, 489 pages : illustrations ; 25 cm

Place of Publication:

New York : Wiley, [1997]

Summary:

Using molecular dynamics simulations to compute the motions of different molecules, scientists can discover why proteins fold together in a way that supports life, or how individual molecules combine to form new substances. Written especially for the novice, this book shows how molecular dynamic simulations work and how to perform them.

"...provides a lot of reading pleasure and many new insights..". -- Journal of Molecular Structure

"A practical introduction...much more interesting to read than the often dry equation-based text". -- Journal of the American Chemical Society

Stresses easy-to-use methods.-- Includes sample calculations, figures and over 200 problems and examples.

Contents:

Fundamentals

Hard spheres

Finite-difference methods

Soft spheres

Static properties

Dynamic properties.

Notes:

"A Wiley Professional Paperback Edition."

Includes bibliographical references (pages 471-478) and indexes.

Local Notes:

Acquired for the Penn Libraries with assistance from the Louis A. Duhring Fund.

ISBN:

047118439X

9780471184393

OCLC:

37927840