Auto-generating an ultraviolet-visible (UV-vis) absorption spectral database via a dual experimental and computational chemical data pathway using the ALCF’s Theta supercomputer. (Image: Jacqueline Cole and Ulrich Mayer, University of Cambridge)
Auto-generating an ultraviolet-visible (UV-vis) absorption spectral database via a dual experimental and computational chemical data pathway using the ALCF’s Theta supercomputer. (Image: Jacqueline Cole and Ulrich Mayer, University of Cambridge)