简介: |
UCL大学研究人员,从事无机材料的计算机模拟工作, 利用分子模拟方法研究材料的结构及界面特征，包括稳定性、吸附、水化、溶解及反应特性等。代表性论文：
1．A computer modelling study of the uptake, structure and distribution of carbonate defects in hydroxy-apatite, Biomaterials, 2006, 27 (9): 2150.
2. The size effect of alkali ions on structural variations in layered silicate materials, Journal of Materials Chemistry, 2005,15 (38): 4167-4178.
3．A computational study of the structures and stabilities effect of Li-K solid solutions on of layered silicate materials - an application of the use of Condor pools in molecular simulation, Molecular Simulation, 2005, 31 (5): 339.
4．A combined density functional theory and interatomic potential-based simulation study of the hydration of nano-particulate silicate surfaces, Surface Science, 2004 , 554 (2-3): 193.
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