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Latent representation machine learned collective variables without data.
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Multiscale simulation paradigm.

Recently submitted papers

  • Embedded-physics machine learning for coarse-graining and collective variable discovery without data, 2020.
  • Probabilistic Machine Learning Strategies for Coarse-Graining of Molecular Dynamics at Equilibrium, 2020 (Thesis).

Recent talks

  • Learning Coarse-Grained Models from Molecular Dynamics: Data-Driven and Embedded-Physics Machine Learning, SIAM CSE. Spokane, WA, USA, 2019.
  • On the fly machine learning for coarse-graining. World Congress in Computational Mechanics. New York, USA, 2018.

I add content by the end of 2020. Please come back again. Thank you.

Best wishes, Markus.

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