This is the page of the Muon Spectroscopy Computational project, a project aimed at developing software and methods to help experimental scientists, in the field of muon spectroscopy, understand and better interpret their results with the help of state-of-the-art computational techniques.
The project’s aim is to provide support and software to address the following outstanding problems in muon spectroscopy:
Identification of the muon stopping site in different classes of commonly studied systems by means of simulations of appropriate level of accuracy (unperturbed electrostatic potential, tight binding, density functional theory);
Estimation of quantum effects involving the muon and their effect on stopping site stability and spectral dynamics;
Prediction of frequencies and probabilities of transition between energy levels of muonic atoms. This is a tool that helps with the interpretation of muonic X-ray spectra for elemental analysis.
Integration of multiple computational tools to create a simplified pipeline from low level theory to experiment simulation.