DECODENSE: Mean-Field Density Matrix Decompositions

DECODENSE: Mean-Field Density Matrix Decompositions Computer simulations nowadays find use in unravelling the inner workings of, e.g., potential drug prospects or emerging solid-state batteries, particularly whenever traditional empirical explorations prove infeasible. To that end, my project is concerned with the acceleration of contemporary electronic structure methods by means of modern machine learning. The grant will fund a PhD student, a postdoc, the exchange with international peers in addition to new equipment.