News tagged with density functional theory

Team maps the nuclear landscape

An Oak Ridge National Laboratory and University of Tennessee team has used the Department of Energy's Jaguar supercomputer to calculate the number of isotopes allowed by the laws of physics.

dateJun 27, 2012 in General Physics
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Iodate refuses to intimidate

Like a bull in a china shop, a massive, iodine-based ion called iodate should disrupt the surrounding water molecules until it is forcibly expelled. However, it doesn't. This disconnect between the molecule's ...

dateNov 08, 2011 in Materials Science
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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 ...

dateJun 23, 2011 in Quantum Physics
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Multiferroics could lead to low-power devices

(PhysOrg.com) -- Magnetic materials in which the north and south poles can be reversed with an electric field may be ideal candidates for low-power electronic devices, such as those used for ultra-high data storage. But finding ...

dateMay 17, 2011 in Condensed Matter
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Tracking signs of better catalysts

(PhysOrg.com) -- SLAC researchers have taken a big step toward making useful catalysts easier to find or create—processes that have previously relied on trial and error. As explained yesterday in the ...

dateJan 12, 2011 in Materials Science
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