Developing catalysts for sustainable fuel and chemical production requires a kind of Goldilocks Effect—some catalysts are too ineffective while others are too uneconomical. Catalyst testing also takes a lot of time and resources. New breakthroughs in computational quantum chemistry, however, hold promise for discovering catalysts that are “just right” and thousands of times faster than standard approaches.
Click here for original story, Sustainable chemistry at the quantum level
Source: Phys.org