Learning pair potentials using differentiable simulations
<jats:p> Learning pair interactions from experimental or simulation data is of great interest for molecular simulations. We propose a general stochastic method for learning pair interactions from data using differentiable simulations (DiffSim). DiffSim defines a loss function based on structur...
| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing
2023
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| Online Access: | https://hdl.handle.net/1721.1/150447 |