Qingsong Zhang, Ph.D.

Affiliations: 
2004 California Institute of Technology, Pasadena, CA 
Area:
Theoretical chemistry
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"Qingsong Zhang"
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William A. Goddard grad student 2004 Caltech
 (Atomistic simulations of barium titanate.)
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Publications

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Zhang Q, Cagin T, Goddard WA. (2006) The ferroelectric and cubic phases in BaTiO3 ferroelectrics are also antiferroelectric. Proceedings of the National Academy of Sciences of the United States of America. 103: 14695-700
Zhang Q, Goddard WA. (2006) Charge and polarization distributions at the 90° domain wall in barium titanate ferroelectric Applied Physics Letters. 89: 182903
Xu X, Zhang Q, Muller RP, et al. (2005) An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems. The Journal of Chemical Physics. 122: 14105
van Duin ACT, Strachan A, Stewman S, et al. (2003) ReaxFFSiOReactive Force Field for Silicon and Silicon Oxide Systems The Journal of Physical Chemistry A. 107: 3803-3811
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