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"Molecular enhanced sampling with autoencoders: On-the-fly collective ..."
Wei Chen, Andrew L. Ferguson (2018)
- Wei Chen
, Andrew L. Ferguson
:
Molecular enhanced sampling with autoencoders: On-the-fly collective variable discovery and accelerated free energy landscape exploration. J. Comput. Chem. 39(25): 2079-2102 (2018)
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