A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...

There are high expectations that quantum computers may deliver revolutionary new possibilities for simulating chemical processes. This could have a major impact on everything from the development of ...

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.

Six popular machine learning models. (a) Decision tree; (b) feedforward neural network (Trans: transformation; Activ Func: activation functions); (c) convolution neural network (Conv: convolution; ...

One of the biggest promises of quantum computing is the ability to simulate molecules with unprecedented accuracy. If quantum computers could do this efficiently, this may speed up the discovery of ...

C&EN’s latest podcast, Inflection Point, leans on our 100-year archive to trace headline topics in science today back to their disparate and surprising roots. In each episode, we explore three ...

J. Robert Oppenheimer is responsible for a fundamental idea in the field of quantum chemistry. AP Photo/John Rooney In 1927, Oppenheimer published a paper called “On the Quantum Theory of Molecules” ...

STOCKHOLM (AP) — Three scientists in the United States won the Nobel Prize in chemistry Wednesday for their work on quantum dots — particles just a few atoms in diameter that can release very bright ...

Quantum computers, systems that process information leveraging quantum mechanical effects, have the potential of outperforming classical systems on some tasks. Instead of storing information as bits, ...

Quantum chemistry calculations that could advance drug development or agriculture have recently emerged as a promising “killer application” of quantum computers, but a new analysis suggests this is ...