Thursday, May 25, 2017

A fresh math perspective opens new possibilities for computational chemistry

A new mathematical “shortcut” is speeding up molecular absorption calculations by a factor of five, so simulations that used to take 10 to 15 hours to compute can now be done in approximately 2.5 hours.

from Geochemistry News -- ScienceDaily http://ift.tt/2qSF3dj
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