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Books > Professional & Technical > Technology: general issues
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
nanocomposites, including metal-matrix, polymer-matrix and
ceramic-matrix based nanocomposites. Properties explored include
mechanical, thermal, optical and electrical properties. This is the
first book that explores methodologies for using Materials Studio,
Lammps and Gromacs in the same place. It will be beneficial for
students, researchers and scientists working in the field of
molecular dynamics simulation.
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