We are grateful to the Centre Européen de Calcul Atomique et Moléculaire (CECAM) for funding for the workshop which inspired this Perspective. We also thank the staff at the CECAM Headquarters at EPF-Lausanne, Switzerland, and at the CECAM node based in Île-de-France (CECAM-FR-MOSER), for their support in developing and advertising the program, and for their assistance in the organization of the workshop.