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:
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".
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 ".
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.