Lab Home | Phone | Search
Center for Nonlinear Studies  Center for Nonlinear Studies
 Home 
 People 
 Current 
 Affiliates 
 Visitors 
 Students 
 Research 
 ICAM-LANL 
 Publications 
 Conferences 
 Workshops 
 Sponsorship 
 Talks 
 Colloquia 
 Colloquia Archive 
 Seminars 
 Postdoc Seminars Archive 
 Quantum Lunch 
 CMS Colloquia 
 Q-Mat Seminars 
 Q-Mat Seminars Archive 
 Archive 
 Kac Lectures 
 Dist. Quant. Lecture 
 Ulam Scholar 
 Colloquia 
 
 Jobs 
 Students 
 Summer Research 
 Visitors 
 Description 
 Past Visitors 
 Services 
 General 
 
 History of CNLS 
 
 Maps, Directions 
 CNLS Office 
 T-Division 
 LANL 
 
Wednesday, April 08, 2009
11:00 AM - 12:00 PM
CNLS Conference Room (TA-3, Bldg 1690)

Seminar

Statistical Learning for Crystal Chemistry

Krishna Rajan
Iowa State University

This presentation explores the application of statistical learning techniques unraveling the complex relationships between structure, bonding and chemistry in inorganic materials – for example, identifying pathways that demonstrate how parameters describing electronic structure, chemistry and crystal geometry “communicate” with each other to ultimately define properties. We show how by integrating electronic and crystal geometry information into both classification and predictive data mining techniques, one can extract complex rule based design strategies for materials. In this presentation we also discuss how statistical learning techniques can be used to augment more classical approaches to computational based design of materials.

Host: Turab Lookman, T-4