Shaping chemistry with computation Not too long ago, computational chemistry simulations served primarily as validators of experimental findings. However, as computing power has increased, so has the ...

Scientists and researchers have long extolled the extraordinary potential capabilities of universal quantum computers, like simulating physical and natural processes or breaking cryptographic codes in ...

A gold superconducting quantum computer hangs against a black background. Quantum computers, like the one shown here, could someday allow chemists to solve problems that classical computers can’t.

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between ...

A successful partnership to help make aspects of chemistry research faster and more productive was recently renewed for another four years. The Exascale Catalytic Chemistry project with Sandia, ...

In an IBM lab in Yorktown Heights, N.Y., a circuit board sits at the bottom of a large tub cooled to temperatures colder than those of outer space. Shiny, solderlike zigzags of niobium cover the board ...

Researchers at the University of Liverpool have developed AI-driven mobile robots that can carry out chemical synthesis research with axtraordinairy efficiency. In a study publishing in the journal ...