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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Alan A Kaptanoglu1, Kyle D Morgan2, Chris J Hansen3
1Department of Physics, University of Washington, Seattle, Washington 98195, USA.
This study introduces a new framework for creating lower-fidelity plasma models using projection-based and data-driven methods. This approach enhances understanding and control of complex plasma behaviors, like those in spheromak experiments.
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