Compressed sensing (or compressive sensing) is a technique that has proved to be revolutionary in the field of signal processing. More and more applications of the method are starting to appear in chemistry in areas such as nuclear magnetic resonance, imaging and spectroscopy. Our group has developed applications of compressed sensing the area of <i>chemical simulation </i>and ultrafast spectroscopy. In this talk, I will overview the theory behind compressed sensing and discuss the several applications for quantum simulation. These include methods for the simulation of molecular vibrations and optical absorption spectra as well as a new wave function method that promises to be competitive with other techniques such as density matrix renormalization group.

Compressing chemistry: Compressed sensing for vibrations, spectroscopy and wave function theory

251st National Meeting (2016)

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