Understanding Molecular Simulation: From Algorithms to Applications (Computational Science Series, Vol 1)
Language: English
Published by Academic Press, 2001
- Softcover
- Used
Seller: SoCo Books, Trinidad, CO, U.S.A.SoCo Books
AbeBooks seller since November 5, 2025
Condition: Used - Good
£ 30.84
Quantity: 1 available
Add to basketItem description from seller
International Edition.
Seller Inventory # 76872
- Title
- Understanding Molecular Simulation: From Algorithms to Applications (Computational Science Series, Vol 1)
- Author
- Frenkel, Daan; Smit, Berend
- Publisher
- Academic Press
- Publication year
- 2001
- Condition
- Good
- Binding
- Soft cover
- Language
- English
- ISBN 10
- 0122673514
- ISBN 13
- 9780122673511
- Edition
- 2nd Edition, International Edition
- Item weight
- 1,050 grams
- Dimensions
- 3.81 centimeters width by 15.24 centimeters height by 22.86 centimeters depth
- Series
- Book 1 of 1: 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
- 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.
About the Author
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 the title" may belong to another edition of this title.
SoCo Books
Trinidad, CO, U.S.A.
AbeBooks seller since November 5, 2025
Shipping rates within U.S.A.
| Item | 5 to 14 business days | 3 to 6 business days |
|---|---|---|
| First item | £ 5.10 | £ 32.30 |
Payment methods
Store description
Independent booksellers specializing in technical books.
Specialty
mathematics, physics, engineering, statistics, computer scienceSeller's business information
SoCo Books
CO, U.S.A.
Right of withdrawal
If you are a consumer you can withdraw from the contract in accordance with the following. Consumer means any natural person who is acting for purposes which are outside his trade, business, craft or profession.
Information regarding the right of withdrawal
Statutory right to withdraw
You have the right to withdraw from this contract within 14 days without giving any reason.
The withdrawal period will expire after 14 days from the day on which you acquire, or a third party other than the carrier and indicated by you acquires, physical possession of the last good or the last lot or piece.
To exercise the right of withdrawal, electronically fill in and submit a clear statement on our website, under "My Purchases" in "My Account". We will communicate to you an acknowledgement of receipt of such a withdrawal on a durable medium (e.g. by e-mail) without delay.
To meet the withdrawal deadline, it is sufficient for you to send your communication concerning your exercise of the right of withdrawal before the withdrawal period has expired.
Effects of withdrawal
If you withdraw from this contract, we will reimburse to you all payments received from you, including the costs of delivery (except for the supplementary costs arising if you chose a type of delivery other than the least expensive type of standard delivery offered by us).
We may make a deduction from the reimbursement for loss in value of any goods supplied, if the loss is the result of unnecessary handling by you.
We will make the reimbursement without undue delay, and not later than 14 days after the day on which we are informed about your decision to withdraw from this contract.
We will make the reimbursement using the same means of payment as you used for the initial transaction, unless you have expressly agreed otherwise; in any event, you will not incur any fees as a result of such reimbursement.
We may withhold reimbursement until we have received the goods back, or you have supplied evidence of having sent back the goods, whichever is the earliest.
You shall send back the goods or hand them over to SoCo Books, Trinidad, Colorado, U.S.A., without undue delay and in any event not later than 14 days from the day on which you communicate your withdrawal from this contract to us. The deadline is met if you send back the goods before the period of 14 days has expired. You will have to bear the direct cost of returning the goods. You are only liable for any diminished value of the goods resulting from the handling other than what is necessary to establish the nature, characteristics and functioning of the goods.
Exceptions to the right of withdrawal
The right of withdrawal does not apply to:
- The delivery of newspapers, journals or magazines with the exception of subscription contracts; and
- The supply of digital content which is not supplied on a tangible medium (e.g. on a CD or DVD) if you accepted when you placed your order that we could start to deliver it, and that you could not withdraw once delivery had started.