Non-autoregressive ionic transport predictor learns dynamics from auxiliary trajectory data during training only, achieving over 200x speedup versus autoregressive models and lower error than non-autoregressive baselines on both dataset types.
Journal of Chemical Theory and Computation , volume =
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Teaching Molecular Dynamics to a Non-Autoregressive Ionic Transport Predictor
Non-autoregressive ionic transport predictor learns dynamics from auxiliary trajectory data during training only, achieving over 200x speedup versus autoregressive models and lower error than non-autoregressive baselines on both dataset types.