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 ...

Microsoft and the Pacific Northwest National Laboratory are banking on artificial intelligence and high-performance computing’s potential to advance research breakthroughs in chemistry and materials ...

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 ...

Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...

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 ...

A 135-year-old chemistry law is getting a quantum makeover. An experiment with a single quantum bit, or a qubit, has uncovered that the Arrhenius equation, which describes how reaction rates relate to ...

Tech giant Microsoft and leading quantum computer developer Quantinuum have hit two more significant markers on the path towards scientific quantum advantage. They have successfully created 12 highly ...

Get the latest federal technology news delivered to your inbox. Microsoft and the Pacific Northwest National Laboratory are banking on artificial intelligence and high-performance computing’s ...