Understanding Molecular Simulation: From Algorithms to Applications (Computational Science)

4.42 avg rating
( 33 ratings by GoodReads )
 
9780122673511: Understanding Molecular Simulation: From Algorithms to Applications (Computational Science)

"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; and, 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.

Review:

".brilliantly maintains a balance between explaining the physical phenomena and performing computations. Its marvelous writing style invites scientists and students to deepen their knowledge of MD simulations."--ComputingReviews.com, January 11, 2013 "... this book brilliantly lays down the scientific foundations of the simulational approach ..."--Prof. Kurt Binder in Physics World, 1997 "... a treasure. The book is a marvellous mix of just enough formalism with an informal and readable style, sufficient detail to understand methodological advances, appropriate mathematics ..."--Prof. Mark A. Ratner in Physics Today, 1997

From the Author:

Understanding Molecular Simulations
The book is aimed at readers who are active in computer simulation, orare planning to become so. Computer simulators are continuously confronted with questions concerning the choice of technique, because there is a bewildering variety of computational tools available. We believe that, in order to make a rational choice, a good understanding of the physics behind each technique is essential. Our aim is to provide the reader with this background.

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

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. Book 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. Bookseller Inventory # ABE-13465529500

More Information About This Seller | Ask Bookseller a Question

Buy New
35.74
Convert Currency

Add to Basket

Shipping: 4.83
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. Book 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. Bookseller Inventory # ABE-8077564653

More Information About This Seller | Ask Bookseller a Question

Buy New
34.05
Convert Currency

Add to Basket

Shipping: 8.06
Within U.S.A.
Destination, Rates & Speeds

3.

Frenkel, Daan; Smit, Berend
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Quantity Available: 12
Seller
Books_Universe
(Sugarland, TX, U.S.A.)
Rating
[?]

Book Description Book Condition: New. Brand New. US Edition Book. We do not ship to Military Addresses. Fast Shipping with Order Tracking. For Standard Shipping 7-8 business days & Expedite Shipping 4-6 business days, after shipping. Bookseller Inventory # 0122673514-RMX

More Information About This Seller | Ask Bookseller a Question

Buy New
42.50
Convert Currency

Add to Basket

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

4.

Frenkel, Daan; Smit, Berend
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Hardcover Quantity Available: 5
International Edition
Seller
PRIORITY BOOKS
(springfield, VA, U.S.A.)
Rating
[?]

Book Description Hardcover. Book Condition: New. HARDCOVER Book, Condition: New. 2nd Edition. [Please Read Carefully Before Buying], This Is An International Edition. Printed In Black and White. 664 Pages, Book Cover And ISBN No May Be Different From US Edition. Restricted Sales Disclaimer Wordings Not For Sales In USA And Canada May Be Printed On The Cover Of The Book. Standard Shipping 7-14 Business Days. Expedited Shiping 4-8 Business Days. ***WE DO NOT ENTERTAIN BULK ORDERS.*** The Books May Be Ship From Overseas For Inventory Purpose. Bookseller Inventory # 352116

More Information About This Seller | Ask Bookseller a Question

Buy New
39.81
Convert Currency

Add to Basket

Shipping: 3.22
Within U.S.A.
Destination, Rates & Speeds

5.

Frenkel, Daan; Smit, Berend
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Hardcover Quantity Available: 1
International Edition
Seller
Nick Book House
(fresno, CA, U.S.A.)
Rating
[?]

Book Description Hardcover. Book Condition: New. New HARDCOVER International Edition, Printed in Black and White, Only USPS Media mail Shipping ONLY, Different ISBN, Same Content As US edition, Book Cover may be Different, in English Language. Bookseller Inventory # 19396

More Information About This Seller | Ask Bookseller a Question

Buy New
40.72
Convert Currency

Add to Basket

Shipping: 3.22
Within U.S.A.
Destination, Rates & Speeds
International Edition
International Edition

6.

Frenkel, Daan; Smit, Berend
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Quantity Available: 5
International Edition
Seller
firstbookstore
(New Delhi, India)
Rating
[?]

Book Description Book Condition: Brand New. Brand New Paperback International Edition, Perfect Condition. Printed in English. Excellent Quality, Service and customer satisfaction guaranteed!. Bookseller Inventory # AIND-18396

More Information About This Seller | Ask Bookseller a Question

Buy New
44.07
Convert Currency

Add to Basket

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

7.

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

Book Description Book Condition: New. New. Soft Cover International edition. Different ISBN and Cover image but contents are same as US edition.Perfect condition. Ship by express service to USA, Canada, Australia, France, Italy, UK, Germany and Netherland. Customer satisfaction our priority. Bookseller Inventory # ABE-190516-146620

More Information About This Seller | Ask Bookseller a Question

Buy New
44.56
Convert Currency

Add to Basket

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

8.

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

Book Description Book Condition: Brand New. New. Soft Cover International edition. Different ISBN and Cover image but contents are same as US edition. Customer Satisfaction guaranteed!!. Bookseller Inventory # SHAK146620

More Information About This Seller | Ask Bookseller a Question

Buy New
44.60
Convert Currency

Add to Basket

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

9.

Frenkel, Daan; Smit, Berend
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Softcover Quantity Available: 5
International Edition
Seller
Romtrade Corp.
(STERLING HEIGHTS, MI, U.S.A.)
Rating
[?]

Book Description Book Condition: New. Brand New Paperback International Edition.We Ship to PO BOX Address also. EXPEDITED shipping option also available for faster delivery. Bookseller Inventory # AUSBNEW-18396

More Information About This Seller | Ask Bookseller a Question

Buy New
46.93
Convert Currency

Add to Basket

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

10.

Frenkel, Daan; Smit, Berend
Published by Elsevier
ISBN 10: 0122673514 ISBN 13: 9780122673511
New Quantity Available: 5
International Edition
Seller
TEXTBOOKSZONE
(NEW DELHI, India)
Rating
[?]

Book Description Elsevier. Book Condition: Brand New. This is Brand New International Edition, Paperback, Different ISBN, Same contents, Excellent Quality with Shrink Wrap, English language, Perfect condition. Please contact us for any questions regarding this book.!!. Bookseller Inventory # TBZ-5403

More Information About This Seller | Ask Bookseller a Question

Buy New
52.77
Convert Currency

Add to Basket

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

There are more copies of this book

View all search results for this book