Computer simulations in chemistry are a powerful way of understanding and optimizing chemical processes. But as the size of the system under consideration grows, so does the computational complexity ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

When researchers at Google announced last fall that they had achieved “quantum superiority”—a point at which a quantum computer can perform a task beyond the reach of regular computers—some people ...