Understanding the chemical properties of a molecule is an inherently quantum problem, making quantum computers a good tool ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

A quantum computer and conventional supercomputer that work together could become an invaluable tool for understanding chemicals. A collaboration between IBM and the Japanese scientific institute ...

Quantum effects can play an important role in chemical reactions. Physicists have now observed a quantum mechanical tunneling reaction in experiments. The observation can also be described exactly 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.

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 ...

Theoretical quantum chemistry is a central discipline that applies the principles of quantum mechanics to decipher and predict the behaviour of molecular systems. It bridges abstract mathematical ...

A team of physicists has created a cloud of ultracold atoms that stubbornly resists the most basic rule of everyday ...

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 ...

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