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Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

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Bereau,  Tristan
Emmy Noether Group Bereau: Biomolecular Simulations, MPI for Polymer Research, Max Planck Society;
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Bereau, T., DiStasio, R. A., Tkatchenko, A., & von Lilienfeld, O. A. (2018). Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning. The Journal of Chemical Physics, 148(24): 241706. doi:10.1063/1.5009502.


Cite as: http://hdl.handle.net/21.11116/0000-0001-DAA6-E
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