Check out our ‘just accepted‘ paper [at ACS Energy Letters] on future prospects in quantum chemistry for research in materials and energy research (link here). Given the fast paced advancements in artificial intelligence and learning algorithms, we believe they will have considerable impact in computational chemistry. If the application of DFT survives this wave, an algorithm may choose or create a dft model for you to study some specific material, and its properties; or even come up with a candidate material for a given application. Otherwise, new forms of computer-generated theoretical models might arise for these purposes.