Feature optimization for atomistic machine learning yields a data-driven construction of the periodic table of the elements
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Density functional approximations fail to provide a consistent description of weak molecular interactions arising from small electron density overlaps. A simple remedy to correct for the missing interactions is to add a posteriori an attractive energy term ...
We investigate the structure and mobility of single self-interstitial atom and vacancy defects in body-centered-cubic transition metals forming groups 5B (vanadium, niobium, and tantalum) and 6B (chromium, molybdenum, and tungsten) of the Periodic Table. D ...
The strongly chelating anionic beta-diketiminate ligand has been employed to formulate complexes involving almost every metal of the periodic table; however, the heavier metals of the d block remain relatively unexplored. This paper describes the synthesis ...
We investigate the ground state properties of large atoms and quantum dots described by a d-dimensional N-body Hamiltonian of confinement ZV. In atoms, d = 3 and V is the Coulomb interaction; in dots, d = 2 and V is phenomenologically determined. We expres ...
The influence of a reflecting surface on the optical bistability in a nanoantenna array is investigated theoretically. The optical response of the array is modeled using a surface integral equation method developed for periodic structures, and the descript ...
This paper addresses the problem of correlation estimation in sets of compressed images. We consider a framework where images are represented under the form of linear measurements due to low complexity sensing or security requirements. We assume that the i ...
We applied density functional theory based on ultrasoft pseudopotentials to study the structural properties of Ir-4 clusters both in the gas phase and adsorbed on a MgO(100) surface. To resolve the discrepancy between experimental data which suggest a tetr ...
The microscopic origin of the intermediate phase in two prototypical covalently bonded A(x)B(1-x) network glass forming systems, where A=Ge or Si, B=Se, and 0
NOVELTY - The component partially or wholly comprises pigmented ceramic. The pigment comprises nanoparticles of metal of group IB in periodic table, alkaline metals or their alloy, coated with a layer of silica such as crystalline silica. The crystalline s ...
