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

Price loading...

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

Name: Understanding Molecular Simulation: From Algorithms to Applications (Computational Science Series, Vol 1)
Brand: Academic Press

Algorithms

Price History & Forecast

No Price Data Available

Price history will appear here once data is collected from Amazon.

Price Distribution

No price data available for histogram

Description

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.

Key Features

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

Product type: ABIS BOOK

Brand: Academic Press

Product Specifications

Brand: Academic Press
Format: hardcover
ASIN: 0122673514
Category: Books > Subjects > Computing & Internet > Programming > Algorithms
Domain: Amazon UK
Release Date: 23 October 2001
Listed Since: 06 February 2007

Barcode

No barcode data available

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

Price History & Forecast

No Price Data Available

Price Distribution

Description

Key Features

Product Specifications

Barcode

Similar Products You Might Like

Understanding Molecular Simulation: From Algorithms to Applications

Molecular Simulation Studies in Material and Biological Sciences

Molecular Simulations: Fundamentals and Practice

Wiley - Molecular Simulation Methods for Predicting Polymer Properties

Molecular Dynamics Simulations in Statistical Physics: Theory and Applications (Scientific Computation)

CRC Press - Industrial Applications of Molecular Simulations

Introduction to Computational Physical Chemistry

Practical Guide to Computer Simulations (with CD-ROM)

Molecular Dynamics Simulation: Fundamentals and Applications

Springer Molecular Materials Modeling and Design - Book 4

Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies

Molecular Simulation in Material & Biological Research

Statistical Mechanics: Theory and Molecular Simulation (Oxford Graduate Texts)

Springer - Computational Electrostatics for Biological Applications

Computational Electrostatics for Biological Applications: Geometric and Numerical Approaches to the Description of Electrostatic Interaction Between Macromolecules

Molecular Simulation of Fluids: Theory, Algorithms, Object-Orientation, and Parallel Computing

Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics (Peking University-world Scientific Advanced Physics Series): 3

Applications of Molecular Simulation in the Oil and Gas Industry: Monte Carlo Methods (IFP Publications)

Biomolecular Simulations: Methods and Protocols: 2022 (Methods in Molecular Biology, 2022)

Molecular Dynamics: Probability and Uncertainty (Oxford Graduate Texts)

Theoretical Foundations of Multiscale Modelling

Multiscale Molecular Methods in Applied Chemistry: 307 (Topics in Current Chemistry, 307)

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes: From Bioinformatics to Molecular Quantum ... (Springer Series in Bio-/Neuroinformatics, 1)

Simulations in Nanobiotechnology