All-Atom Simulation Method for Zeeman Alignment and Dipolar Assembly of Magnetic Nanoparticles | Journal of Chemical Theory and Computation
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Stabilizing Single-Atom Iron Electrocatalysts for Oxygen Reduction via Ceria Confining and Trapping | ACS Catalysis
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An Intelligent Strategy with All-Atom Molecular Dynamics Simulations for the Design of Lipopeptides against Multidrug-Resistant Pseudomonas aeruginosa | Journal of Medicinal Chemistry
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Freezing solute atoms in nanograined aluminum alloys via high-density vacancies | Nature Communications
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