The acceptance of molecules as 3D structures led to major advances in chemistry, with quantum mechanics providing the theoretical framework. Early successes, like modeling the neutral H2 molecule, ...

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 ...

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 ...

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.

Rapid advances in applying artificial intelligence to simulations in physics and chemistry have some people questioning whether we will even need quantum computers at all. Tech companies have been ...

Whether quantum computers can actually solve practical problems is one of the biggest unanswered questions of this growing industry – and one that might be answered by researchers in industrial and ...

The authors declare no competing interests. The research was supported by the Sydney Horizon Fellowship program, the Wellcome Leap Quantum for Bio program, the Australian Research Council, the US ...

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 ...

The real test of any new quantum chemistry method is whether it can explain or predict behavior in materials that matter for technology. In this case, the LAS‑based approach has already been applied ...