skip to content
Ab Initio Molecular Dynamics : Basic Theory and Advanced Methods. Preview this item
ClosePreview this item
Checking...

Ab Initio Molecular Dynamics : Basic Theory and Advanced Methods.

Author: Dominik Marx; Jürg Hutter
Publisher: Leiden : Cambridge University Press, 2009.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Database:WorldCat
Summary:
The first book on this rapidly growing field for graduate students and researchers, covering a range of methods and applications.
Rating:

(not yet rated) 0 with reviews - Be the first.

Subjects
More like this

 

Find a copy in the library

&AllPage.SpinnerRetrieving; Finding libraries that hold this item...

Details

Genre/Form: Electronic books
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Dominik Marx; Jürg Hutter
ISBN: 9780511533334 0511533330 9780521898638 0521898633
OCLC Number: 437119652
Description: 1 online resource (579 pages)
Contents: Cover; Half-title; Title; Copyright; Contents; Preface; 1 Setting the stage: why ab initio molecular dynamics?; Part I Basic techniques; 2 Getting started: unifying molecular dynamics and electronic structure; 3 Implementation: using the plane wave basis set; 4 Atoms with plane waves: accurate pseudopotentials; Part II Advanced techniques; 5 Beyond standard ab initio molecular dynamics; 6 Beyond norm-conserving pseudopotentials; 7 Computing properties; 8 Parallel computing; Part III Applications; 9 From materials to biomolecules; 10 Properties from ab initio simulations; 11 Outlook. BibliographyIndex.

Abstract:

The first book on this rapidly growing field for graduate students and researchers, covering a range of methods and applications.

Reviews

User-contributed reviews
Retrieving GoodReads reviews...
Retrieving DOGObooks reviews...

Tags

Be the first.

Similar Items

Confirm this request

You may have already requested this item. Please select Ok if you would like to proceed with this request anyway.

Linked Data


Primary Entity

<http://www.worldcat.org/oclc/437119652> # Ab Initio Molecular Dynamics : Basic Theory and Advanced Methods.
    a schema:CreativeWork, schema:MediaObject, schema:Book ;
    library:oclcnum "437119652" ;
    library:placeOfPublication <http://experiment.worldcat.org/entity/work/data/793196192#Place/leiden> ; # Leiden
    library:placeOfPublication <http://id.loc.gov/vocabulary/countries/ne> ;
    schema:about <http://experiment.worldcat.org/entity/work/data/793196192#Topic/molecular_dynamics_computer_simulation> ; # Molecular dynamics--Computer simulation
    schema:about <http://dewey.info/class/541.394/> ;
    schema:bookFormat schema:EBook ;
    schema:contributor <http://viaf.org/viaf/86305873> ; # Jürg Hutter
    schema:creator <http://viaf.org/viaf/163947662> ; # Dominik Marx
    schema:datePublished "2009" ;
    schema:description "The first book on this rapidly growing field for graduate students and researchers, covering a range of methods and applications."@en ;
    schema:description "Cover; Half-title; Title; Copyright; Contents; Preface; 1 Setting the stage: why ab initio molecular dynamics?; Part I Basic techniques; 2 Getting started: unifying molecular dynamics and electronic structure; 3 Implementation: using the plane wave basis set; 4 Atoms with plane waves: accurate pseudopotentials; Part II Advanced techniques; 5 Beyond standard ab initio molecular dynamics; 6 Beyond norm-conserving pseudopotentials; 7 Computing properties; 8 Parallel computing; Part III Applications; 9 From materials to biomolecules; 10 Properties from ab initio simulations; 11 Outlook."@en ;
    schema:exampleOfWork <http://worldcat.org/entity/work/id/793196192> ;
    schema:genre "Electronic books"@en ;
    schema:inLanguage "en" ;
    schema:isSimilarTo <http://worldcat.org/entity/work/data/793196192#CreativeWork/> ;
    schema:name "Ab Initio Molecular Dynamics : Basic Theory and Advanced Methods."@en ;
    schema:productID "437119652" ;
    schema:publication <http://www.worldcat.org/title/-/oclc/437119652#PublicationEvent/leiden_cambridge_university_press_2009> ;
    schema:publisher <http://experiment.worldcat.org/entity/work/data/793196192#Agent/cambridge_university_press> ; # Cambridge University Press
    schema:url <http://www.myilibrary.com?id=239059> ;
    schema:url <http://public.eblib.com/choice/publicfullrecord.aspx?p=433035> ;
    schema:url <http://proquest.tech.safaribooksonline.de/9781139637879> ;
    schema:url <http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=304682> ;
    schema:url <http://dx.doi.org/10.1017/CBO9780511609633> ;
    schema:url <http://proquest.safaribooksonline.com/?fpi=9781139637879> ;
    schema:url <http://site.ebrary.com/id/10303068> ;
    schema:url <http://www.myilibrary.com?id=239059&ref=toc> ;
    schema:workExample <http://worldcat.org/isbn/9780511533334> ;
    schema:workExample <http://worldcat.org/isbn/9780521898638> ;
    wdrs:describedby <http://www.worldcat.org/title/-/oclc/437119652> ;
    .


Related Entities

<http://experiment.worldcat.org/entity/work/data/793196192#Agent/cambridge_university_press> # Cambridge University Press
    a bgn:Agent ;
    schema:name "Cambridge University Press" ;
    .

<http://experiment.worldcat.org/entity/work/data/793196192#Topic/molecular_dynamics_computer_simulation> # Molecular dynamics--Computer simulation
    a schema:Intangible ;
    schema:hasPart <http://id.loc.gov/authorities/subjects/sh85086583> ;
    schema:name "Molecular dynamics--Computer simulation"@en ;
    .

<http://viaf.org/viaf/163947662> # Dominik Marx
    a schema:Person ;
    schema:familyName "Marx" ;
    schema:givenName "Dominik" ;
    schema:name "Dominik Marx" ;
    .

<http://viaf.org/viaf/86305873> # Jürg Hutter
    a schema:Person ;
    schema:familyName "Hutter" ;
    schema:givenName "Jürg" ;
    schema:name "Jürg Hutter" ;
    .

<http://worldcat.org/entity/work/data/793196192#CreativeWork/>
    a schema:CreativeWork ;
    schema:isSimilarTo <http://www.worldcat.org/oclc/437119652> ; # Ab Initio Molecular Dynamics : Basic Theory and Advanced Methods.
    .

<http://worldcat.org/isbn/9780511533334>
    a schema:ProductModel ;
    schema:isbn "0511533330" ;
    schema:isbn "9780511533334" ;
    .

<http://worldcat.org/isbn/9780521898638>
    a schema:ProductModel ;
    schema:isbn "0521898633" ;
    schema:isbn "9780521898638" ;
    .


Content-negotiable representations

Close Window

Please sign in to WorldCat 

Don't have an account? You can easily create a free account.