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electrode/electrolyte interfaces and defect-containing solar cell interfaces Perform molecular dynamics simulations of interfacial ion transport and understand the evolution of the electronic structure
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dynamics Develop machine learning potentials to predict SAM formation on solar cell absorber and battery electrode surfaces Understand the evolution of the electronic structure under realistic
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include, but are not limited to, diamond anvil cell experiments, laser heating, synchrotron X-ray diffraction, volatile-bearing silicate systems, hydrogen–magma-ocean interaction, water formation and
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