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Full-Text Articles in Nanoscience and Nanotechnology
Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn
Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn
Doctoral Dissertations
Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of …
Materials Engineering, Switching Mechanism And Novel Applications Of Memristive Devices, Hao Jiang
Materials Engineering, Switching Mechanism And Novel Applications Of Memristive Devices, Hao Jiang
Doctoral Dissertations
Memristive devices have attracted tremendous interests because of their highly desirable properties such as a simple structure, low switching voltage, fast switching speed, excellent scalability, multiple conductance states and great compatibility with the Complementary Metal–Oxide–Semiconductor technology. Hence, they stand out as promising candidates for next-generation non-volatile memory and electronic synapses in artificial neural network. This thesis reports systematic studies of the memristive switching phenomena in oxide based material systems, in aspects of materials engineering, switching mechanism and novel applications. We demonstrated efficient ways of engineering device performances such as metal doping and further presented a highly reliable hafnium oxide based …