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Molecular dynamics analysis uncovers the catalytic recombination efficiency of H2/O2 in nanoclusters, suggesting improved hydrogen energy utilization.
The H 2 /O 2 catalytic recombination reaction, essential for safely utilizing hydrogen energy, was simulated rapidly and accurately using MD simulation with ‘universal neural network potential’ (UNNP).
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TATEISHI et al. (2026) studied this question.
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