Introduction to Practice of Molecular Simulation

This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use. Provides tools to develop skills in developing simulations programs Includes sample simulation programs for the reader to use Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them

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  • Author : Akira Satoh
  • Publisher : Elsevier
  • Pages : 330 pages
  • ISBN : 0123851491
  • Rating : 4/5 from 21 reviews
CLICK HERE TO GET THIS BOOKIntroduction to Practice of Molecular Simulation

Introduction to Practice of Molecular Simulation

Introduction to Practice of Molecular Simulation
  • Author : Akira Satoh
  • Publisher : Elsevier
  • Release : 17 December 2010
GET THIS BOOKIntroduction to Practice of Molecular Simulation

This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use. Provides tools to develop skills in developing simulations programs Includes sample simulation programs for the reader to use Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them

Molecular Simulations

Molecular Simulations
  • Author : Saman Alavi
  • Publisher : VCH
  • Release : 03 June 2020
GET THIS BOOKMolecular Simulations

Addressing the need of chemistry, biology and engineering students to understand and perform their own molecular simulations, the author introduces the fundamentals of molecular modeling for a broad, practice-oriented audience and presents versatile practical applications. The book presents a thorough overview of the underlying concepts.

Understanding Molecular Simulation

Understanding Molecular Simulation
  • Author : Daan Frenkel,Berend Smit
  • Publisher : Elsevier
  • Release : 19 October 2001
GET THIS BOOKUnderstanding Molecular Simulation

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

Industrial Applications of Molecular Simulations

Industrial Applications of Molecular Simulations
  • Author : Marc Meunier
  • Publisher : CRC Press
  • Release : 28 November 2011
GET THIS BOOKIndustrial Applications of Molecular Simulations

The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the future, the question remains as to how these methods can be further integrated into the R&D value chain, bridging the gap from engineering to manufacturing.

An Introduction to Molecular Dynamics

An Introduction to Molecular Dynamics
  • Author : Mark S. Kemp
  • Publisher : Nova Science Publishers
  • Release : 20 May 2022
GET THIS BOOKAn Introduction to Molecular Dynamics

"In the opening chapter of An Introduction to Molecular Dynamics, the method of statistical geometry, based on the construction of a Voronoi polyhedral, is applied to the pattern recognition of atomic environments and to the investigation of the local order in molecular dynamics-simulated materials. Next, the authors discuss the methodology of bimolecular simulations and their advancements, as well as their applications in the field of nanoparticle-biomolecular interactions. The theory of molecular dynamics simulation and some of the recent molecular dynamics

Molecular Dynamics Simulation of Nanostructured Materials

Molecular Dynamics Simulation of Nanostructured Materials
  • Author : Snehanshu Pal,Bankim Chandra Ray
  • Publisher : CRC Press
  • Release : 28 April 2020
GET THIS BOOKMolecular Dynamics Simulation of Nanostructured Materials

Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs
  • Author : Sumit Sharma
  • Publisher : Elsevier
  • Release : 09 August 2019
GET THIS BOOKMolecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. The latter two of these are open-source codes which can be used for modeling at no cost. Several case studies how each software package is used to predict various properties of

Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites

Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites
  • Author : Sumit Sharma
  • Publisher : John Wiley & Sons
  • Release : 03 March 2021
GET THIS BOOKMechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites

Learn to model your own problems for predicting the properties of polymer-based composites Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites: Nanoscale to Continuum Simulations provides readers with a thorough and up-to-date overview of nano, micro, and continuum approaches for the multiscale modeling of polymer-based composites. Covering nanocomposite development, theoretical models, and common simulation methods, the text includes a variety of case studies and scripting tutorials that enable readers to apply and further develop the supplied simulations. The book describes the

Computational Continuum Mechanics of Nanoscopic Structures

Computational Continuum Mechanics of Nanoscopic Structures
  • Author : Esmaeal Ghavanloo,Hashem Rafii-Tabar,Seyed Ahmad Fazelzadeh
  • Publisher : Springer
  • Release : 19 February 2019
GET THIS BOOKComputational Continuum Mechanics of Nanoscopic Structures

This book offers a comprehensive treatment of nonlocal elasticity theory as applied to the prediction of the mechanical characteristics of various types of biological and non-biological nanoscopic structures with different morphologies and functional behaviour. It combines fundamental notions and advanced concepts, covering both the theory of nonlocal elasticity and the mechanics of nanoscopic structures and systems. By reporting on recent findings and discussing future challenges, the book seeks to foster the application of nonlocal elasticity based approaches to the emerging

Modeling of Magnetic Particle Suspensions for Simulations

Modeling of Magnetic Particle Suspensions for Simulations
  • Author : Akira Satoh
  • Publisher : CRC Press
  • Release : 03 February 2017
GET THIS BOOKModeling of Magnetic Particle Suspensions for Simulations

The main objective of the book is to highlight the modeling of magnetic particles with different shapes and magnetic properties, to provide graduate students and young researchers information on the theoretical aspects and actual techniques for the treatment of magnetic particles in particle-based simulations. In simulation, we focus on the Monte Carlo, molecular dynamics, Brownian dynamics, lattice Boltzmann and stochastic rotation dynamics (multi-particle collision dynamics) methods. The latter two simulation methods can simulate both the particle motion and the ambient

Computational Physics

Computational Physics
  • Author : Rubin H. Landau,Manuel J Páez,Cristian C. Bordeianu
  • Publisher : John Wiley & Sons
  • Release : 11 June 2015
GET THIS BOOKComputational Physics

The use of computation and simulation has become an essential part of the scientific process. Being able to transform a theory into an algorithm requires significant theoretical insight, detailed physical and mathematical understanding, and a working level of competency in programming. This upper-division text provides an unusually broad survey of the topics of modern computational physics from a multidisciplinary, computational science point of view. Its philosophy is rooted in learning by doing (assisted by many model programs), with new scientific

Molecular Dynamics

Molecular Dynamics
  • Author : Lichang Wang
  • Publisher : BoD – Books on Demand
  • Release : 11 April 2012
GET THIS BOOKMolecular Dynamics

Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This second book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the

Molecular Modeling and Simulation

Molecular Modeling and Simulation
  • Author : Tamar Schlick
  • Publisher : Springer Science & Business Media
  • Release : 18 April 2013
GET THIS BOOKMolecular Modeling and Simulation

Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

The Chemistry and Physics of Engineering Materials

The Chemistry and Physics of Engineering Materials
  • Author : Alexandr A. Berlin,Roman Joswik,Nikolai I. Vatin
  • Publisher : CRC Press
  • Release : 17 July 2018
GET THIS BOOKThe Chemistry and Physics of Engineering Materials

This new volume focuses on the limitations, properties, and models in the chemistry and physics of engineering materials that have potential for applications in several disciplines of engineering and science. Contributions range from new methods to novel applications of existing methods. The collection of topics in this volume reflects the diversity of recent advances in chemistry and physics of engineering materials with a broad perspective that will be useful for scientists as well as for graduate students and engineers. This