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Transferable Generative Models Bridge Femtosecond to Nanosecond Time-Step Molecular Dynamics

Diez, Juan Viguera et al.
arXiv (All) · Papers
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chemical-physics
Understanding molecular structure, dynamics, and reactivity requires bridging processes that occur across widely separated time scales. Conventional molecular dynamics simulations provide atomistic resolution, but their femtosecond time steps limit access to the slow conformational changes and relax
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