Realism in Molecular Dynamics The Marmion Academy Research Group

Working with Forces

Another path of research that we plan to pursue in the future involves taking data collected via experiments and finding functions that fit the data.  Our current potentials aren't perfect, but by fitting our functions to the data, we can get closer to reality.

Eureqa!

Eureqa is a piece of software developed at the Cornell Computational Synthesis Lab.  It performs symbolic regressions on datasets, allowing us to find functions that reliable fit the data.  Rather than doing simple regressions, this software attempts to ensure that the laws of physics are upheld.  It may be crucial in our attempts to improve force functions to match our experimental findings.  Here is a video explaining Eureqa:

The Eureqa Software Explained from Kellan Davidson on Vimeo.