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BIOVIA MATERIALS STUDIO HOW TO
BIOVIA MATERIALS STUDIO SOFTWARE

There was an urgent need for such a book because there is currently no book available that caters to the need of students and researchers working in the field of molecular dynamics (MD) simulation. I am very grateful to my parents who have always motivated me during my life. Without their esteemed guidance, support, and motivation, this book might not have materialized. Singh (IIT Delhi) for their invaluable suggestions. Ambedkar National Institute of Technology, Jalandhar.

This book is the fruit of the guidance of my supervisors, Dr. Ambedkar National Institute of Technology, Jalandhar, India

BIOVIA MATERIALS STUDIO SOFTWARE

Uses case studies to show which software should be used to solve a variety of nanoscale modeling problems.

Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites.

Gives a detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs.

It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. Properties explored include mechanical, thermal, optical and electrical properties.

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. The latter two of these are open-source codes which can be used for modeling at no cost.

BIOVIA MATERIALS STUDIO HOW TO

The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. 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.