PHYSMonday, March 26, 2007

8:20 AM-11:55 AM McCormick Place South -- Room S406A, Level 4, Oral
Capturing Complexity in Physical Sciences Simulation
Condensed Matter
Organizers:William F. Schneider
Krishnan Raghavachari
Organizer, Presiding:Christopher M. Wolverton
8:20 AMComputational quantum condensed matter physics, then and now: In memory of Ken Hass
Arthur J. Freeman
9:00 AMDensity-functional based simulation of spin-ordered molecular magnets
Mark R Pederson
9:40 AMFirst principles predictions of structure and cohesion of alumina grain boundaries
Ivan Milas, Berit Hinnemann, Emily A. Carter
10:00 AMIntermission
10:15 AMSimulations of the long time scale evolution of defects in solids
Hannes Jónsson, Graeme Henkelman, Andreas Pedersen, Jean-Claude Berthet
10:55 AMA practical approach to the prediction of crystal structure by merging data-mining methods with first principles quantum mechanics
Gerbrand Ceder, Chris Fischer, Dane Morgan
11:35 AMPredicting the future
Bryan Goodman

Previous Session -- Capturing Complexity in Physical Sciences Simulation -- Next Session

Symposium Grid -- Division of Physical Chemistry -- Session Listing

The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007