Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science Series, Vol 1)

4.42 avg rating
( 36 ratings by Goodreads )
 
9780122673511: Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science Series, Vol 1)
View all copies of this ISBN edition:
 
 

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.

Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on:

· Transition path sampling and diffusive barrier crossing to simulaterare events
· Dissipative particle dynamic as a course-grained simulation technique
· Novel schemes to compute the long-ranged forces
· Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations
· Multiple-time step algorithms as an alternative for constraints
· Defects in solids
· The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules
· Parallel tempering for glassy Hamiltonians

Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

"synopsis" may belong to another edition of this title.

From the Back Cover:

This book explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continously confronted with questions concerning the choice of a particular technique for a given application. Since a wide variety of computational tools exists, the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Examples are included that highlight current applications, and the codes of the case studies are available on the World Wide Web. No prior knowledge of computer simulation is assumed.

About the Author:

Daan Frenkel is based at the FOM Institute for Atomic and Molecular Physics and at the Department of Chemistry, University of Amsterdam. His research has three central themes: prediction of phase behavior of complex liquids, modeling the (hydro) dynamics of colloids and microporous structures, and predicting the rate of activated processes. He was awarded the prestigious Spinoza Prize from the Dutch Research Council in 2000.

Berend Smit is Professor at the Department of Chemical Engineering of the Faculty of Science, University of Amsterdam. His research focuses on novel Monte Carlo simulations. Smit applies this technique to problems that are of technological importance, particularly those of interest in chemical engineering.

"About this title" may belong to another edition of this title.

Other Popular Editions of the Same Title

9780125373517: Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science)

Featured Edition

ISBN 10:  0125373511 ISBN 13:  9780125373517
Publisher: Academic Press, 2001
Softcover

9780122673702: Understanding Molecular Simulation: From Algorithms to Applications

Academ..., 1996
Hardcover

Top Search Results from the AbeBooks Marketplace

International Edition
International Edition

1.

Frenkel, Daan;Smit, Berend
Published by St Louis, Missouri, U.S.A.: Academic Pr (2001)
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Soft cover Quantity Available: > 20
International Edition
Seller:
Greenland Texts
(Mongkok, KL, Hong Kong)
Rating
[?]

Book Description St Louis, Missouri, U.S.A.: Academic Pr, 2001. Soft cover. Condition: New. Dust Jacket Condition: New. 2nd Edition. Low price guarantee! The book is the brand new international edition textbook with the different ISBN and cover design. The book main content black/white printed in full English as same as the corresponding original US edition. Fast shipments will sent out by DHL/UPS or standard post mail with tracking numbers in one to two working days after the orders confirmed. Seller Inventory # ABE-13465529500

More information about this seller | Contact this seller

Buy New
US$ 42.98
Convert Currency

Add to Basket

Shipping: US$ 5.98
From Hong Kong to U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

2.

Frenkel, Daan;Smit, Berend
Published by St Louis, Missouri, U.S.A.: Academic Pr (2001)
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Soft cover Quantity Available: > 20
International Edition
Seller:
Sizzler Texts
(Pasadena, CA, U.S.A.)
Rating
[?]

Book Description St Louis, Missouri, U.S.A.: Academic Pr, 2001. Soft cover. Condition: New. Dust Jacket Condition: New. 2nd Edition. **INTERNATIONAL EDITION** Read carefully before purchase: This book is the international edition in mint condition with the different ISBN and book cover design, the major content is printed in full English as same as the original North American edition. The book printed in black and white, generally send in twenty-four hours after the order confirmed. All shipments contain tracking numbers. Great professional textbook selling experience and expedite shipping service. Seller Inventory # ABE-8077564653

More information about this seller | Contact this seller

Buy New
US$ 40.95
Convert Currency

Add to Basket

Shipping: US$ 9.99
Within U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

3.

Frenkel
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Quantity Available: 2
International Edition
Seller:
Bookshub
(Karol Bagh, India)
Rating
[?]

Book Description Condition: New. New. International edition. Different ISBN and Cover image but contents are same as US edition. Perfect condition. Customer satisfaction our priority. Seller Inventory # ABE-FEB-137818

More information about this seller | Contact this seller

Buy New
US$ 55.34
Convert Currency

Add to Basket

Shipping: FREE
From India to U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

4.

Frenkel
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Quantity Available: 2
International Edition
Seller:
Bookshub
(Karol Bagh, India)
Rating
[?]

Book Description Condition: New. New. International edition. Different ISBN and Cover image but contents are same as US edition. Perfect condition. Customer satisfaction our priority. Seller Inventory # ABE-FEB-137819

More information about this seller | Contact this seller

Buy New
US$ 55.34
Convert Currency

Add to Basket

Shipping: FREE
From India to U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

5.

Frenkel
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Quantity Available: 2
International Edition
Seller:
EBOOKSTORE2010
(New Delhi, ND, India)
Rating
[?]

Book Description Condition: Brand New. New. SoftCover International edition. Different ISBN and Cover image but contents are same as US edition. Customer Satisfaction guaranteed!!. Seller Inventory # SHUB137818

More information about this seller | Contact this seller

Buy New
US$ 55.39
Convert Currency

Add to Basket

Shipping: FREE
From India to U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

6.

Frenkel
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Quantity Available: 2
International Edition
Seller:
EBOOKSTORE2010
(New Delhi, ND, India)
Rating
[?]

Book Description Condition: Brand New. New. SoftCover International edition. Different ISBN and Cover image but contents are same as US edition. Customer Satisfaction guaranteed!!. Seller Inventory # SHUB137819

More information about this seller | Contact this seller

Buy New
US$ 55.39
Convert Currency

Add to Basket

Shipping: FREE
From India to U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

7.

Frenkel
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Softcover Quantity Available: 2
International Edition
Seller:
Basi6 International
(Irving, TX, U.S.A.)
Rating
[?]

Book Description Condition: Brand New. New, SoftCover International edition. Different ISBN and Cover image but contents are same as US edition. Excellent Customer Service. Seller Inventory # ABEUSA-137818

More information about this seller | Contact this seller

Buy New
US$ 58.26
Convert Currency

Add to Basket

Shipping: FREE
Within U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

8.

Frenkel
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Softcover Quantity Available: 2
International Edition
Seller:
Basi6 International
(Irving, TX, U.S.A.)
Rating
[?]

Book Description Condition: Brand New. New, SoftCover International edition. Different ISBN and Cover image but contents are same as US edition. Excellent Customer Service. Seller Inventory # ABEUSA-137819

More information about this seller | Contact this seller

Buy New
US$ 58.26
Convert Currency

Add to Basket

Shipping: FREE
Within U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

9.

Frenkel, Daan; Smit, Berend
Published by Academic Press
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Hardcover Quantity Available: 10
International Edition
Seller:
WFL
(Holtsville, NY, U.S.A.)
Rating
[?]

Book Description Academic Press. Hardcover. Condition: New. 0122673514 New ,Paperback , International Edition , Same text as US edition ,Different ISBN /Cover , printed in english , Ready to ship, fast delivery (5-8 busienss days ) worldwide. Seller Inventory # INAM29T4184

More information about this seller | Contact this seller

Buy New
US$ 53.57
Convert Currency

Add to Basket

Shipping: US$ 4.90
Within U.S.A.
Destination, Rates & Speeds

10.

Frenkel, Daan;Smit, Berend
Published by St Louis, Missouri, U.S.A.: Academic Pr (2001)
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Hardcover Quantity Available: 5
Seller:
LINDABOOK
(Taipei, TP, Taiwan)
Rating
[?]

Book Description St Louis, Missouri, U.S.A.: Academic Pr, 2001. Hardcover. Condition: New. 2nd Edition. Ship out 1-2 business day,Brand new,US edition, Free tracking number usually 2-4 biz days delivery to worldwide Same shipping fee with US, Canada,Europe country, Australia, please use your post office system to track the item, item will ship out from either LA or Asia,t. Seller Inventory # ABE-5243249767

More information about this seller | Contact this seller

Buy New
US$ 69.99
Convert Currency

Add to Basket

Shipping: US$ 9.90
From Taiwan to U.S.A.
Destination, Rates & Speeds

There are more copies of this book

View all search results for this book