In the present section, we introduce the basic functionality of the Machine Learning (ML) operations supported on our platform, implemented through the Exabyte Machine Learning Engine component of our software.
We explain how a ML model can be trained, based on a set of results of band-gap computations, in this tutorial page.
The ML model trained in the above-mentioned initial tutorial can then be employed to statistically predict the band-gap of other similar materials, without the need for further computations. We explain how this can be achieved in this other tutorial.
We explain how large scale molecular dynamics simulation can be performed in our platform using DFT, DeePMD and LAMMPS - Molecular dynamics using DeePMD.