Thursday, October 25, 2007: 9:00 AM-12:00 PM
Redbud A (Greenville Hyatt Regency Hotel)
Analytical, Environmental and Physical Chemistry (9)
Modeling of Covalent Bonding Interactions II
Sponsor: ACS Division of Physical Chemistry
Presider:D. W. Brenner
Organizers:Steven J. Stuart
D. W. Brenner
9:00 AMCharge Optimized Many-Body COMB Potential for Complex Systems
Jianguo Yu, Susan Sinnott, Simon Phillpot
9:40 AM*Extension of Bond-Order Potentials for Modeling Si- and O-Containing Materials
Judith Harrison
10:20 AMBreak
10:40 AMValence-Dependent Analytic Bond-Order Potentials for Metals and Semiconductors
David G. Pettifor, Ralf Drautz
11:20 AMInteratomic Bond-Order Potentials for Atomistic Simulations of Materials at Extreme Conditions
Ivan Oleynik

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