Differentiable Multiscale Molecular Simulations
Multiscale molecular simulation is a critical tool to understand matter. The multiscale picture of simulations views observables at different granularities, providing explanation and prediction of phenomena across a wide range of spatial and temporal scales. Recently, data-driven modeling has shown...
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Format: | Thesis |
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Massachusetts Institute of Technology
2023
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Online Access: | https://hdl.handle.net/1721.1/147220 |