Free shipping on all orders over $79* Limited Time Only
Track My Order
Help Centre
Likes
My Wish ListsLogin / Join
Booktopia
Australia's local bookstore
Get Free Shipping on orders over $79
Computational Materials Science : From Ab Initio to Monte Carlo Methods - Kaoru Ohno

Computational Materials Science

From Ab Initio to Monte Carlo Methods

By: Kaoru Ohno, Keivan Esfarjani, Yoshiyuki Kawazoe

eText | 6 December 2012

At a Glance

eText

$159.01

or 4 interest-free payments of $39.75 with

 or 

Instant online reading in your Booktopia eTextbook Library *

Why choose an eTextbook?

Instant Access *

Purchase and read your book immediately

Read Aloud

Listen and follow along as Bookshelf reads to you

Study Tools

Built-in study tools like highlights and more

* eTextbooks are not downloadable to your eReader or an app and can be accessed via web browsers only. You must be connected to the internet and have no technical issues with your device or browser that could prevent the eTextbook from operating.
There has been much progress in the computational approaches in the field of materials science during the past two decades. In particular, computer simula­ tion has become a very important tool in this field since it is a bridge between theory, which is often limited by its oversimplified models, and experiment, which is limited by the physical parameters. Computer simulation, on the other hand, can partially fulfill both of these paradigms, since it is based on theories and is in fact performing experiment but under any arbitrary, even unphysical, conditions. This progress is indebted to advances in computational physics and chem­ istry. Ab initio methods are being used widely and frequently in order to determine the electronic and/or atomic structures of different materials. The ultimate goal is to be able to predict various properties of a material just from its atomic coordinates, and also, in some cases, to even predict the sta­ ble atomic positions of a given material. However, at present, the applications of ab initio methods are severely limited with respect to the number of par­ ticles and the time scale of dynamical simulation. This is one extreme of the methodology based on very accurate electronic-level calculations.
on
Desktop
Tablet
Mobile

You Can Find This eBook In

Non-FictionEngineering & TechnologyMechanical Engineering & MaterialsMaterials ScienceComputing & I.T.Graphical & Digital Media Applications3D Graphics & ModellingSciencePhysicsMaterials & States of Matter

Other Editions and Formats

Hardcover

Published: 23rd April 2018

View Product
Paperback

Published: 1st February 2019

View Product

More in Physics

A Universe From Nothing - Lawrence M. Krauss

eBOOK

A Universe From Nothing

eBook

$14.99

Coming of Age in the Milky Way - Timothy Ferris

eBOOK

Coming of Age in the Milky Way

eBook

RRP $33.99

$27.99

18%
OFF

This product is categorised by