Quantum Computers Promise to Shake Up Theoretical Chemistry & Materials Science

(DesignNews) quantum computers could transform chemistry from the dark arts of heuristics to a theory-driven science. The next generation of Lego bricks might be designed on the computer rather than finding the right chemical properties by trial and error.
Quantum computers could hold the key to the predictive power ‘conventional’ theoretical chemistry methods lack. Quantum computers can represent other quantum systems – such as electrons in molecules – with much more ease than conventional computers.
The idea that a quantum computer could excel at describing chemical systems dates back almost 40 years. Richard Feynman first dreamt of a quantum system simulating another to gain insight into chemical and physical properties.
Together, quantum hardware and software developments promise to shake up theoretical chemistry.