Project Grant 2410280

This $298,507 Project Grant awarded by the National Science Foundation's (NSF) Computer and Information Science and Engineering (CISE) program (CFDA 47.070) funds the development of two new open-source software packages for performing state-of-the-art quantum Monte Carlo simulations of electron-phonon interactions in strongly correlated quantum materials. The "SMOQYELPHQMC.JL" and "SMOQYDCA.JL" packages leverage recent advances in hybrid Monte Carlo sampling to enable simulations of a broad class of electron-phonon interactions, including realistic low-energy optical and acoustic phonon branches. These new tools will provide critical cyberinfrastructure to enable research into the role of electron-phonon interactions across a wide range of quantum materials, reducing barriers to entry and promoting reproducibility in this field. The grant recipient, the University of Tennessee, will host workshops and create tutorials to grow a community of users and developers for these open-source software packages.