|
Showing 1 - 3 of
3 matches in All Departments
This textbook introduces modern techniques based on computer
simulation to study materials science. It starts from first
principles calculations enabling to calculate the physical and
chemical properties by solving a many-body Schroedinger equation
with Coulomb forces. For the exchange-correlation term, the local
density approximation is usually applied. After the introduction of
the first principles treatment, tight-binding and classical
potential methods are briefly introduced to indicate how one can
increase the number of atoms in the system. In the second half of
the book, Monte Carlo simulation is discussed in detail. Problems
and solutions are provided to facilitate understanding. Readers
will gain sufficient knowledge to begin theoretical studies in
modern materials research. This second edition includes a lot of
recent theoretical techniques in materials research. With the
computers power now available, it is possible to use these
numerical techniques to study various physical and chemical
properties of complex materials from first principles. The new
edition also covers empirical methods, such as tight-binding and
molecular dynamics.
Powerful computers now enable scientists to model the physical and
chemical properties and behavior of complex materials using first
principles. This book introduces dramatically new computational
techniques in materials research, specifically for understanding
molecular dynamics.
This textbook introduces modern techniques based on computer
simulation to study materials science. It starts from first
principles calculations enabling to calculate the physical and
chemical properties by solving a many-body Schroedinger equation
with Coulomb forces. For the exchange-correlation term, the local
density approximation is usually applied. After the introduction of
the first principles treatment, tight-binding and classical
potential methods are briefly introduced to indicate how one can
increase the number of atoms in the system. In the second half of
the book, Monte Carlo simulation is discussed in detail. Problems
and solutions are provided to facilitate understanding. Readers
will gain sufficient knowledge to begin theoretical studies in
modern materials research. This second edition includes a lot of
recent theoretical techniques in materials research. With the
computers power now available, it is possible to use these
numerical techniques to study various physical and chemical
properties of complex materials from first principles. The new
edition also covers empirical methods, such as tight-binding and
molecular dynamics.
|
You may like...
Loot
Nadine Gordimer
Paperback
(2)
R398
R330
Discovery Miles 3 300
The Creator
John David Washington, Gemma Chan, …
DVD
R325
Discovery Miles 3 250
|
Email address subscribed successfully.
A activation email has been sent to you.
Please click the link in that email to activate your subscription.