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1.
Viewpoint

The Choreographer of a Most Unusual Electron Dance

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Neepa T. Maitra, Physics 5, 79 (2012) – Published July 16, 2012
A new approach to finding the electronic potentials in density-functional theory—one of the most important computational tools in condensed matter and quantum chemistry—is proposed.
2.
Synopsis

An Army of Computing Power

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Published June 4, 2012
To calculate the electronic properties of complex materials, researchers have developed an algorithm that harnesses the computing power of tens of thousands of processors.
3.
Synopsis

The Unbearable Hardness of Physics

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Published March 22, 2012
Researchers have proved that extracting dynamical equations from data is in general a computationally hard problem.
4.
Synopsis

Coming off the Grid

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Published November 28, 2011
Theorists uncover universal effects underlying computer simulations of finite volume systems.
5.
Focus

Faster Crunching with Field Lines

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Phys. Rev. Focus 9, 22 (2002) – Published April 30, 2002
The 19th century view of electric fields in terms of force lines may speed simulations of large biomolecule interactions used in drug design.
6.
Focus

Sparks Branch Like Coral Reefs

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Phys. Rev. Focus 9, 19 (2002) – Published April 16, 2002
Sparks branch for the same reason that coral reefs and snowflakes do, according to computer simulations.
7.
Focus

Nobel Focus: Chemistry by Computer

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Phys. Rev. Focus 2, 19 (1998) – Published October 21, 1998