Comparison & validation of interatomic potentials
This website provides an interactive interface for the assessment of interatomic potentials presented in OpenKIM, NIST IPR and elsewhere with respect to DFT reference data. The calculations were carried out using the pyiron workflow management tool. The website is under construction, more information will we available soon.
Website is operating in a test mode, so please login to proceed.
This project is financially supported by the German Research Foundation (DFG) through projects 405621217 and 405602047.