News tagged with dft
Some Choices Are Better Than Others in Studying the Universal Solvent
By mixing and matching choices from a buffet of 30 to 70 options, scientists are modeling water's behavior in surface and subsurface reactions and in heterogeneous atmospheric processes such as the formation ...
Apr 01, 2010 |
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Explained: The Discrete Fourier Transform
(PhysOrg.com) -- In 1811, Joseph Fourier, the 43-year-old prefect of the French district of Isčre, entered a competition in heat research sponsored by the French Academy of Sciences. The paper he submitted ...
Nov 25, 2009 |
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Search results for dft
Team models ionic conductivity in doped ceria for use as a fuel cell electrolyte
(PhysOrg.com) -- Optimizing the conductivity of ceria based oxides, or doped ceria, is crucial to their use as electrolytes in future solid oxide fuel cells.
Jan 12, 2012 |
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Scientists develop the most advanced computer model to-date of the scattering of polarized light from chiral molecules
(PhysOrg.com) -- An international research team has described the first calculations of Raman optical activity (ROA) spectra using coupled-cluster theory – one of the most reliable quantum chemical methods ...
Chemistry / Analytical Chemistry
Oct 04, 2011 |
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Ringing the hemoglobin bell
(PhysOrg.com) -- Knowing the structure of a molecule is an important part of understanding it, but quite often it’s even more important to know how the molecule moves -- more specifically, the vibrational ...
Sep 08, 2011 |
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Modeling the bizarre: Quantum superfluids
(PhysOrg.com) -- More than 100 years since superconductivity was discovered, a comprehensive description for the behavior of a broad class of fundamental physical systems that exhibit the bizarre properties ...
Jun 23, 2011 |
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Research into batteries will give electric cars the same range as petrol cars
Li-air batteries are a promising opportunity for electric cars. "If we succeed in developing this technology, we are facing the ultimate breakthrough for electric cars, because in practice, the energy density of Li-air batteries ...
Technology / Energy & Green Tech
Apr 06, 2011 |
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Nanowires exhibit giant piezoelectricity
Gallium nitride (GaN) and zinc oxide (ZnO) are among the most technologically relevant semiconducting materials. Gallium nitride is ubiquitous today in optoelectronic elements such as blue lasers (hence the blue-ray disc) ...
Jan 26, 2011 |
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Effects of atomic-scale roughness on adhesion between diamond surfaces
CNST Project Leader Rachel Cannara and collaborators from the United States Naval Academy (USNA) and the University of Pennsylvania have shown that atomic-scale surface roughness has a strong influence on adhesion for diamond, ...
Nanotechnology / Nanomaterials
Jan 20, 2011 |
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Resolving the high pressure phases of calcium
(PhysOrg.com) -- Significant experimental and theoretical work has been devoted to the electronic, structural and superconducting properties of calcium (Ca) at high pressure.
Dec 15, 2010 |
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Freescale introduces low-cost, full-featured evaluation board for StarCore-based SC3850 DSPs
Freescale Semiconductor has introduced a low-cost evaluation module for the MSC815x and MSC825x family of programmable digital signal processors (DSPs) intended for medical, aerospace, defense and test/measurement applications.
Oct 29, 2010 |
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Unraveling the Matrix
A new way of analyzing grids of numbers known as matrices could improve signal-processing applications and data-compression schemes.
Jul 29, 2010 |
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List of search results for dft
