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Advances and Applied Principles of Molecular Dynamics

This book elucidates the ever-growing applications of molecular dynamics simulations to overcome a broad spectrum of scientific and;

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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 Simulations

Molecular dynamics method is a numerical statistical mechanics technique for integration of the equations of motion for a many-particle;

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Encyclopedia of Molecular Dynamics

Molecular systems consist of a vast number of particles whose physical movements can be studied under molecular dynamics. This book is a;

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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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Computational Methods to Study the Structure and Dynamics of Biomolecules and Bi

of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second;

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Molecular Simulations Fundamentals &

Provides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations;

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An Introduction to Molecular Dynamics

recognition of atomic environments and to the investigation of the local order in molecular dynamics-simulated materials. Next, the authors discuss;

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Biomolecular Simulations

Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to;

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Molecular Dynamics

The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields;

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Models in Bioscience & Materials Research

prospects of computer molecular simulation studies covering a broad spectrum of problems in modern physics, biochemistry, and nanotechnology. Topics;

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Multiscale Molecular Methods in Applied Chemistry

First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A;

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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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Molecular Dynamics Simulation

Provides a lot of reading pleasure and many new insights. -Journal of Molecular Structure This is the most entertaining, stimulating and;

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Computer Simulations Of Molecules And Condensed Matter

more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and free-energy calculation techniques including;

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Multiresponsive Behavior of Biomembranes and Giant Vesicles

Biomembranes consist of molecular bilayers with many lipid and protein components. The fluidity of these bilayers allows them to respond to;

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Simulations of Charge Transport in Organic Compounds

of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges;

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Industrial 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;

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Industrial 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;

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Molecular Dynamics Simulations of Disordered Materials

of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to;

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Reviews in Computational Chemistry, Volume 9

A select group of scientists from around the world join in this volume to create unique chapters aimed at both the novice molecular modeler;

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Scientific Simulations with SpecialPurpose Computers

, hydrodynamics and molecular dynamics. Special purpose computers have been developed to handle these highly complex problems. Scientific Simulations with;

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Molecular Kinetics in Condensed Phases

A guide to the theoretical and computational toolkits for the modern study of molecular kinetics in condensed phases Molecular Kinetics;

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Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties provides readers with an overview of the most commonly used;

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Metallic Glass-Based Nanocomposites

Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties provides readers with an overview of the most commonly used;

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