We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site U and inter-site V ) in the framework of DFT+U and DFT+U+V. The code does not require the use of computationally expensive superce ...
The diffusion strategy for distributed learning from streaming data employs local stochastic gradient updates along with exchange of iterates over neighborhoods. In Part I [3] of this work we established that agents cluster around a network centroid and pr ...
We present a derivation of the exact expression for Pulay forces in density-functional theory calculations augmented with extended Hubbard functionals and arising from the use of orthogonalized atomic orbitals as projectors for the Hubbard manifold. The de ...
We propose a self-consistent site-dependent Hubbard U approach for density functional theory (DFT)+U calculations of defects in complex transition metal oxides, using Hubbard parameters computed via linear response theory. The formation of a defect locally ...
Assimilating any nanostructure with a fractal, in the most general Mandelbrot's sense, non - differentiable behaviors in their dynamics on the heat transfer phenomena are analyzed. As such, nanostructure dynamics on the heat transfer in the form of Schrodi ...
Self-levelling flooring compounds (SLC) are applied in thin layers (less than 1cm) to level floors before further finishing cover such as parquet or plastic cover. They are composed of a ternary binder system based on Portland cement (PC), calcium aluminat ...
The diffusion strategy for distributed learning from streaming data employs local stochastic gradient updates along with exchange of iterates over neighborhoods. In this work we establish that agents cluster around a network centroid in the mean-fourth sen ...
