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

Quantum mechanics. Quantum tunneling, Quantum computing. Quantum biology. The implications of the quantum world are extraordinary — and potentially intimidating to students trying to maintain a good ...

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

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 ...

Now, researchers at the University of Chicago Pritzker School of Molecular Engineering and the Abdus Salam International ...

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.

In a new paper published in The Journal of Chemical Theory and Computation, researchers from IBM Quantum and Lockheed Martin demonstrate how a quantum computer can help accurately model the electronic ...

Quantum theory and Einstein's theory of general relativity are two of the greatest successes in modern physics. Each works ...

Quantum chemistry calculations offer the best combination of efficiency and accuracy for predicting molecular properties. But the complexity of density functional theory and other methods makes them ...

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 ...