Molecular Modeling Techniques In Material Sciences

Molecular Modeling Techniques In Material Sciences

Editorial Reviews
Book Description
Molecular modeling is a method that combines computational chemistry techniques with graphics visualization for simulating and predicting the structure, chemical processes, and properties of molecules. This book provides an overview of commonly used methods in atomistic simulation of a broad range of materials, including oxides, superconductors, semiconductors, zeolites, glass, and nanomaterials. It presents information on how to handle different materials, how to calculate their properties, what method is appropriate for a certain problem, and much more. Along with methods already extensively used, the authors also present some techniques expected to become generally available in the near future.

Molecular Modeling Techniques In Material Sciences,Jörg-Rüdiger Hill,Lalitha Subramanian,Amitesh Maiti,CRC,0824724194,Chemistry - General,Chemistry - Physical & Theoretical,Congresses,Material Science,Materials,Models,Molecules,Science,Science/Mathematics,Technology & Industrial Arts,Science / Chemistry / General

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