Abstract

Humanity's technological, economic and societal progress since the onset of the industrial revolution has left us facing one of the greatest challenges in history, as well as the tools to solve it: how to power our world sustainably while minimizing environmental harm. In this Perspective, we highlight the important role that quantum chemistry has in sustainable energy research and our vision of its future impact. Important technical problems in the field of sustainable energy and their potential quantum solutions are covered. The development of advanced quantum mechanical methods, which can be combined with other simulation tools, affords insights that will help to secure our energy and environmental future. The technological progress made since the industrial revolution has brought with it one of our greatest challenges: how to power our world while also minimizing environmental harm. This Perspective highlights the important role that quantum chemistry has in sustainable energy research.

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