Development of theoretical tools
Four projects are active in this research area: (1) Constructing potential energy surfaces for transition metal clusters/nanoparticles; (2) Developing meta-MD simulations (3) Comparing various density functionals for use in the study of transition metal clusters/nanoparticles; (4) Comparing various theories in electron excitation/transfer processes.
Publications related to this research area:
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L. Wang and G.A. Hudson, Molecular Dynamics - Theoretical Developmentsand Applications in Nanotechnology and Energy, Lichang Wang (Ed.), ISBN: 978-953-51-0443-8, InTech (2012) 25-42: "Advanced Molecular Dynamics Simulations on the Formation of Transition Metal Nanoparticles".
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Z. Xu, S. Lu, J. Li, and L. Wang, IEEE proceedings of 2010 Sixth International Conference on Natural Computation 3(2010)1586-1589: "Artificial neural network potential energy surface for silver nanoparticles ".
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Z. Xu, X. Shi, J. Li, S. Lu, and L. Wang, IEEE proceedings of 2009 Fifth International Conference on Natural Computation 1(2009)86-90: Artificial neural network method to construct potential energy surfaces for transition metal nanoparticles: Pt, Au, and Ag.