Articles with "rapid calculation" as a keyword



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Rapid Calculation of Molecular Kinetics Using Compressed Sensing.

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Published in 2018 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.8b00089

Abstract: Recent methods for the analysis of molecular kinetics from massive molecular dynamics (MD) data rely on the solution of very large eigenvalue problems. Here we build upon recent results from the field of compressed sensing… read more here.

Keywords: calculation molecular; compressed sensing; using compressed; molecular kinetics ... See more keywords