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Molecular Dynamics

Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to;

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Advances in Molecular Dynamics Simulations Research

This work presents three chapters, each of which detail a recent advancement in the field of molecular dynamics simulations research;

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Molecular Dynamics of Nanobiostructures

use of computer molecular simulation methods. Today, molecular simulation is one of the basic instruments in exploring the properties of nano;

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Molecular Simulation in Material & Biological Research

This important book focuses on the different aspects of molecular simulation in material and biological research, on the computational and;

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An Introduction to Molecular Dynamics

interactions. The theory of molecular dynamics simulation and some of the recent molecular dynamics methods such as steered molecular dynamics;

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Molecular Dynamics Simulation

the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to;

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Molecular Dynamics Simulation of Nanostructured Materials

Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and;

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Molecular Simulation Studies on Thermophysical Properties

This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions;

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An Introduction to Molecular Dynamics Simulation of Polymer Composites

This book will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. In this book;

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Computational Materials & Biological Sciences

In this book, original papers have been collected to demonstrate the efficient use of computer molecular dynamics simulation methods for;

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A Practical Introduction to the Simulation of Molecular Systems

Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a;

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Molecular Dynamics Simulation

Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent;

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Molecular 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;

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Metastability and Markov State Models in Molecular Dynamics

Applications in modern biotechnology and molecular medicine often require simulation of biomolecular systems in atomic representation with;

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Metallic Glass-Based Nanocomposites

dynamics simulations. Aimed at students and researchers, this book caters to the needs of those working in the field of molecular dynamics;

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Metallic Glass-Based Nanocomposites

simulations. Aimed at students and researchers, this book caters to the needs of those working in the field of molecular dynamics (MD) simulation;

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Chemical Kinetics and Dynamics

kinetics, and molecular interpretation. This best selling book offers a balanced presentation of the macroscopic view of empirical kinetics and the;

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Nonequilibrium Gas Dynamics and Molecular Simulation

molecular simulation. Because this text provides comprehensive coverage of the physical models available for use in the DSMC method, in addition to;

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The Art of Molecular Dynamics Simulation

The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to;

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Computer Simulation of Polymers

at the complex problems of time and size scaling in molecular modelling and simulation and includes not only atomistic modelling, but also;

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Understanding Molecular Simulation

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation;

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Ab Initio Molecular Dynamics

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes;

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Ab Initio Molecular Dynamics

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes;

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Structures and Dynamics of Interfacial Water

This book focuses on the study of the interfacial water using molecular dynamics simulation and experimental sum frequency generation;

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Computational Physics of Carbon Nanotubes

classic statistical and quantum mechanical simulation techniques, (including molecular dynamics, Monte Carlo simulations and ab initio molecular;

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Computational Physics of Carbon Nanotubes

classic statistical and quantum mechanical simulation techniques, (including molecular dynamics, Monte Carlo simulations and ab initio molecular;

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Multiscale Simulation Methods for Nanomaterials

This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and;

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