Credit: Álvaro Vázquez Mayagoitia/Argonne National Laboratory; Jacqueline Cole/University of Cambridge
University of Cambridge researcher Jacqueline Cole is leading an ALCF Data Science Program project that uses machine learning and data mining in conjunction with large-scale simulations and experiments to identify new light-absorbing dye molecules for solar-powered windows. This image shows the isosurface of the Laplacian of the electron density of MK44, an organic dye, attached to the surface of a nanocluster of titania.