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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00477
Abstract: The emergence of experiments capable of probing quantum dynamics at the single-molecule level requires the development of new theoretical tools capable of simulating and analyzing these dynamics beyond an ensemble-averaged description. In this article, we…
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Keywords:
single molecule;
system;
methods provide;
ensemble methods ... See more keywords