The role of density functional theory in chemistry: Some historical landmarks and applications to zeolites
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This dissertation describes a complete methodological framework for designing, modeling and optimizing a specific class of distributed systems whose dynamics result from the multiple, stochastic interactions of their constitutive components. These componen ...
The Human Brain Project (HBP) is a candidate project in the European Union's FET Flagship Program, funded by the ICT Program in the Seventh Framework Program. The project will develop a new integrated strategy for understanding the human brain and a novel ...
Elsevier Science, Reg Sales Off, Customer Support Dept, 655 Ave Of The Americas, New York, Ny 10010 Usa2011
We present an approach to the DFT+U method (density functional theory + Hubbard model) within which the computational effort for calculation of ground-state energies and forces scales linearly with system size. We employ a formulation of the Hubbard model ...
This paper proposes a robust semiparametric bootstrap method to estimate predictive distributions of GARCH-type models. The method is based on a robust estimation of parametric GARCH models and a robustified resampling scheme for GARCH residuals that contr ...
We analyze the accuracy of wall shear stress measurements in lattice Boltzmann simulations that are based on a voxel representation of the geometry and staircase approximation of boundaries. Such approximations are commonly used in the context of lattice B ...
Fringe projection techniques are popular tools for three-dimensional shape measurement in optical metrology. In these techniques, the information about the shape or the surface profile of an object is usually encoded in the phase of a recorded fringe patte ...
For three-dimensional (3D) shape measurement using fringe projection techniques, the information about the 3D shape of an object is encoded in the phase of a recorded fringe pattern. The paper proposes a high-order instantaneous moments based method to est ...
The present paper addresses the use of a Windows™ DLL to simulate the real code of a DSP for faster development time and advanced testing, especially in high power systems. The development of power system control usually starts with simulations and the dev ...
The European Integrated Tokamak Modelling Task Force (ITM-TF) is developing a new type of fully modular and flexible integrated tokamak simulator, which will allow a large variety of simulation types. This ambitious goal requires new concepts of data struc ...
This paper analytically determines the nondetection zone (NDZ) of an active islanding detection method, and proposes a solution to obviate the NDZ. The method actively injects a negative-sequence current through the interface voltage-sourced converter (VSC ...
Institute of Electrical and Electronics Engineers2011