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Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Related publications (35)

What Can Integral Equation Do for Array Analysis?

This contribution starts with a short overview on classic Integral Equation techniques for the analysis of periodic structures. Then, an efficient iterative procedure will be presented for periodic and quasi periodic structures. © 2014 European Association ...

2014

, , ,

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 ...

Amer Chemical Soc2013

Second-harmonic generation from periodic arrays of arbitrary shape plasmonic nanostructures: a surface integral approach

Olivier Martin, Jérémy Butet, Benjamin Gallinet, Krishnan Thyagarajan

A surface integral formulation for the second-harmonic generation (SHG) from periodic metallic-dielectric nano-structures is described. This method requires the discretization of the scatterers' surface in the unit cell only. All the physical quantities in ...

Optical Soc Amer2013

NMR of Insensitive Nuclei Enhanced by Dynamic Nuclear Polarization

Geoffrey Bodenhausen, Lothar Helm, Pascal Miéville, Sami Jannin

Despite the powerful spectroscopic information it provides, Nuclear Magnetic Resonance (NMR) spectroscopy suffers from a lack of sensitivity, especially when dealing with nuclei other than protons. Even though NMR can be applied in a straightforward manner ...

Schweizerische Chemische Gesellschaft2011

System-Dependent Density Based Dispersion Correction

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 ...

2010

Accurate and versatile modeling of electromagnetic scattering on periodic nanostructures with a surface integral approach

Olivier Martin, Benjamin Gallinet, Andreas Kern

A surface integral formulation for light scattering on periodic structures is presented. Electric and magnetic field equations are derived on the scatterers' surfaces in the unit cell with periodic boundary conditions. The solution is calculated with the m ...

2010

Dye, dye-sensitized solar cell, and method for manufacturing the same

Michael Graetzel, Mohammad Khaja Nazeeruddin

PROBLEM TO BE SOLVED: To provide a dye to become a constituting material of a dye-sensitized solar cell having a high conversion efficiency and excelling in the durability. SOLUTION: The dye is represented by formula (1): ML1L2L3 ...

2010

Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals

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 ...

2007

Pièce en céramique pigmentée

Heinrich Hofmann, Alke Fink

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 ...

2006

Integral-equation analysis of 3-D metallic objects arranged in 2-D lattices using the Ewald transformation

Juan Ramon Mosig, Ivica Stevanovic, Frédéric Bongard, Pedro Crespo Valero, Katarina Blagovic

We present a space-domain integral-equation method for the analysis of periodic structures formed by three-dimensional metallic objects arranged in a general skewed two-dimensional lattice. The computation of the space-domain Green's function is accelerate ...

2006

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