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