Linked Life Data

14525315

Source:http://linkedlifedata.com/resource/pubmed/id/14525315

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
13
pubmed:dateCreated
2003-10-3
pubmed:abstractText
Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. It is typically addressed with highly accurate quantum mechanical computations on a small set of candidate structures, or with empirical rules that have been extracted from a large amount of experimental information, but have limited predictive power. In this Letter, we transfer the concept of heuristic rule extraction to a large library of ab initio calculated information, and we demonstrate that this can be developed into a tool for crystal structure prediction.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Sep
pubmed:issn
0031-9007
pubmed:author
pubmed:issnType
Print
pubmed:day
26
pubmed:volume
91
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
135503
pubmed:year
2003
pubmed:articleTitle
Predicting crystal structures with data mining of quantum calculations.
pubmed:affiliation
Department of Materials Science and Engineering, MIT, Cambridge, Massachusetts 02139, USA.
pubmed:publicationType
Journal Article