Understanding the role of predictive time delay and biased propagator in RAVE.
Wang Y, Tiwary P.
Wang Y, et al.
J Chem Phys. 2020 Apr 14;152(14):144102. doi: 10.1063/5.0004838.
J Chem Phys. 2020.
PMID: 32295373
In this work, we revisit our recent iterative machine learning (ML)-molecular dynamics (MD) technique "Reweighted autoencoded variational Bayes for enhanced sampling" [J. M. L. Ribeiro et al., J. Chem. Phys. 149, 072301 (2018) and Y. Wang, J. M. L. Ribeiro, and P. T …
In this work, we revisit our recent iterative machine learning (ML)-molecular dynamics (MD) technique "Reweighted autoencoded variational Ba …