Abstract by Parker Hamilton
Physics and Astronomy
Making materials prediction faster: Finding integration grids to leverage symmetry
In material science, calculations often require complex numeric integrals. These integrals can be expensive and time consuming because the function being integrated is difficult to model. The function often however has symmetries that can reduce the total number of points that need to be evaluated to perform the integral. It follows that the more symmetries an integration grid shares with the original function, the easier the integral becomes. We have developed a method to exhaustively enumerate the symmetry preserving grids related to the parent function. This method allows for the generation of a new grid for each parent function that preserves the symmetry of the parent function, saving countless CPU hours while performing these integrals.