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COLLOQUIA of the Computational Materials Science Center
FALL 2011
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 condensed
matter, physics, and chemistry are presented weekly by speakers both internal and
external to GMU. This activity is part of the
Computational Materials and Chemical 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.
Seminars are held on Mondays at 4:30 PM in Room 301 of Research I, except as noted. Coffee and refreshments are served when
funds are available. New visitors may find
directions
to reach our
Fairfax campus. |
September 12
The potentials and challenges of atomistic simulations
Chandler A. Becker
Metallurgy Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD
(Abstract)
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September 19
Mechanisms for the Decomposition and Dehydrogenation of Complex Hydrides: Insights from First-Principles Defect Calculations
Khang Hoang
Center for Computational Materials Science, Naval Research Laboratory, Washington, DC and
Computational Materials Science Center, George Mason University, Fairfax, VA
(Abstract)
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September 26
Atomistic and Coarse-Grained Simulations of DNA, Proteins and Protein-DNA Complexes
Garyk Papoian
Department of Chemistry and Biochemistry, Institute for Physical Science and Technology, University of Maryland,
College Park, MD
(Abstract)
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October 3
Predicting Structure and Reactivity at Metal Oxide Surfaces in Complex Environments
Anne Chaka
National Institute of Standards and Technology, Gaithersburg, MD
(Abstract)
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October 10
No seminar - Columbus Day
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October 17
Molecular dynamics simulations of Alzheimer's Abeta peptide coincubated with ibuprofen
Dmitri Klimov
School of Systems Biology, George Mason University, Fairfax, VA
(Abstract)
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October 24
Use of transition matrix Monte Carlo simulation to study metastability and phase transitions in gas adsorption processes
Daniel W. Siderius
Theoretical Chemistry Group, National Institute of Standards and Technology, Gaithersburg, MD
(Abstract)
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October 31
Exploring Novel Approaches in Rational Drug Design
Iwona E. Weidlich
Chemistry and Biochemistry Department, University of Maryland, Baltimore County and
Chemical Biology Laboratory,Center for Cancer Research, National Cancer Institute, NIH,
DHHS, Frederick, MD
(Abstract)
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November 7
High Temperature and High Pressure Research with Diamond-Anvil Cell by Synchrotron Light Source
Jinfu Shu
Geophysical Laboratory Carnegie Institution of Washington, Washington DC
(Abstract)
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November 28
Probabilistic Search Frameworks for Modeling Structures, Motions, and Assembly of Protein Molecules
Amarda Shehu
Department of Computer Science, George Mason University, Fairfax, VA
(Abstract)
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December 5
A Roadmap for Systematic Data Representations in Cyberinfrastructure for Combustion
Donald Burgess
National Institute of Standards and Technology, Gaithersburg, MD
(Abstract)
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Past schedules are also available.
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Speakers
Chandler Becker
Khang Hoang
Garyk Papoian
Anne Chaka
Dimitri Klimov
Daniel Siderius
Iwona Weidlich
Jinfu Shu
Amarda Shehu
Donald Burgess
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