Owain Beynon

icon company KCL icon location London icon location Postdoc in Materials Modelling at KCL. Using computational techniques and data driven methods for material discovery.

Results 1 issues of Owain Beynon

Forces with PBC

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Hi, I'm trying to train a model using forces and energies for silicon, based on the tutorial found here: https://schnetpack.readthedocs.io/en/latest/tutorials/tutorial_03_force_models.html. The training runs ok, but using the resultant model for...