COLLOQUIA of the Computational Materials Science Center

FALL 2013

Coordinator: Estela Blaisten-Barojas

This series of colloquia is related to the research activities of the Computational Materials Science Center. Recent topics of interest in computational approaches in condensed matter, physical chemistry, informatics, and nanoscience are presented weekly by speakers both internal and external to GMU. This activity is part of the Computational Materials and Physical Chemistry Sciences and Computational Physics components of the doctoral program in Computational Sciences and Informatics. Students interested in obtaining one credit for their attendance can register in CSI 898-001.

By inviting colleagues from other institutions to present their research we constibute to tear down walls that isolate us (a strongly locally focused institution) from the broader scientific community. This colloquium series is of tremendous benefit for the students who are exposed to the latest creative ideas in computational sciences, engineering, data, and physics. Any research program needs to be nurtured and constantly stimulated.

Seminars are held on Mondays at 4:30 PM in Exploratory Hall, room 3301 except as noted. Coffee and refreshments are served when funds are available. New visitors may find directions to reach our Fairfax campus.

September 9

Evolving Local Minima in the Protein Energy Surface

Brian Olson

Computer Science Department, George Mason University, Fairfax, VA
(Abstract)

September 16

Atomistic simulation of thermodynamic, kinetic and mechanical properties of materials

Zachary Trautt

National Institute of Standards and Technology, Gaithersburg, MD
(Abstract)

September 23

Molecular Modeling of Polymeric Materials in Support of the Materials Genome Initiative and Materials Measurement Science

Frederick Phelan Jr.

Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, MD
(Abstract)

September 30

Prediction of Diffusion Coefficients and Microstructure of Medical Device Coatings Using Molecular Dynamics Simulation

Christopher Forrey

Food and Drug Administration, Health and Human Services, Silver Spring, MD
(Abstract)

October 7

Electronic origin of the spin-disorder resistivity enhancement in the heavy rare-earth metals

James Glasbrenner

Center for Computational Materials Science, Naval Research Laboratory, Washington DC
(Abstract)

October 14

No seminar-Columbus Day

October 21

Applications of Density-Functional and Tight-Binding Theory in Complex Materials

D.A. Papaconstantopoulos

Center of Computational Materials Science, SPACS, George Mason University, Fairfax, VA
(Abstract)

October 28

A machine learning framework for analyzing protein-molecule interactions

Huzefa Rangwala

Computer Science Department, George Mason University, Fairfax, VA
(Abstract)

November 4

Computational Modeling of Bulk Photovoltaics and Dirac Semimetals

Steve Young

Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania
(Abstract)

November 11

Why can't we engineer drugs on a computer yet?

Michael Shirts

Department of Chemical Engineering, University of Virginia, Charlottesville, VA
(Abstract)

November 18

Electrostatic Interactions in Polymers and Soft Matter

Andrey Dobrynin

Institute of Materials Science and Department of Physics, University of Connecticut, and Division of Materials Research, National Science Foundation, Arlington, VA

(Abstract)

November 25

TBD

TBD

TBD
(Abstract)

Computational Materials Science Center

College of Science

George Mason University