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Development of a Correction Term for the Kinetic Energy Density Functional
(2014-12-15)
Density functional theory (DFT) is a useful theoretical and computational tool for electronic structure calculations, which form the basis for the classification of materials into conductors, semiconductors or insulators. ...
Limiting Efficiency of Perovskite Solar Cells
(2014-12-15)
The power conversion efficiency of perovskite solar cells has risen from as low as 3.8% to as high as 19.3% in just five years with yet a projected value of over 20% in the next few years by experimentalists. Such a ...
Performance Optimization of Tin Halide Perovskite Solar Cells Via Numerical Simulation
(2014-12-15)
Organic-inorganic hybrid perovskite solar cells have attracted great attention in the photovoltaic research community in recent years due to its ease of processing, low cost of production, superb light-harvesting ...
Molecular Dynamics Simulation of Transport of Encapsulated Drug Through a Lipid Bilayer
(2014-12-15)
Most anticancer drugs are polar, cytotoxic and have complicated structures which cause difficulty in their penetration through the cell membrane. This presents a serious problem in chemotherapy. Is it possible to use carbon ...
Simulation-Based Model Thermal Ablation of Prostate Cancer Using High Intensity Focused Ultrasound
(2014-12-20)
The use of High Intensity Focused Ultrasound (HIFU) in the medical treatment of cancer has attracted scientists and engineers with interest in achieving the most financially affordable but yet curative methods of curing ...