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Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials

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Pampel,  Benjamin
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Valsson,  Omar
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;
Department of Chemistry, University of North Texas, Texas, United States;

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Pampel, B., & Valsson, O. (2022). Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation, 18(7), 4127-4141. doi:10.1021/acs.jctc.2c00197.


Cite as: https://hdl.handle.net/21.11116/0000-000A-B3EC-2
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