--------------------------------------------------------------------
     COLLOQUIUM OF THE COMPUTATIONAL MATERIALS SCIENCE CENTER
   AND THE SCHOOL OF PHYSICS, ASTRONOMY AND COMPUTATIONAL SCIENCES
                       (CSI 898-Sec 001)
--------------------------------------------------------------------

     Studying Materials Properties from First-Principles Using 
             the Tools of Density-Functional Theory

                   Dimitris A, Papaconstantopoulos
      School of Physics, Astronomy and Computational Sciences
                 George Mason University, Fairfax, VA

 In this talk I will present an overview of electronic structure methods
 based on density functional theory. The talk is intended to demonstrate
 the capabilities of these methods in determining materials properties
 and making predictions of new phases under extreme conditions.
 Criteria for establishing superconductivity or ferromagnetism will be
 presented. Also, examples will be given on how mechanical properties
 can be evaluated and changes of crystal structures or phase transitions
 such as metal to insulator occur. 
 
The talk is intended for a general audience with an emphasis on informing
 graduate students of what are the kinds of problems materials and condensed
 matter scientists can solve using the tools of density functional theory. 

                      Monday, March 7, 2011
                               4:30 pm
                    Room 301, Research I, Fairfax Campus

Refreshments will be served at 4:15 PM.
----------------------------------------------------------------------
Find the schedule at http://cmasc.gmu.edu/seminar/schedule.html