A team of researchers from the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory and Stony Brook University have devised a new quantum algorithm to compute the lowest energies of ...

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 ...

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 ...

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 ...

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 ...

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

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.

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 ...

The 2024 Gordon Bell Prize goes to researchers led by the University of Melbourne for using the Frontier supercomputer to conduct a quantum molecular dynamics simulation 1,000 times greater in size ...

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 ...

Sandbox AQ, the AI and quantum firm spun out of Google parent company Alphabet in 2022, has acquired Good Chemistry, a Vancouver-based quantum and computational chemistry startup, for an undisclosed ...

For the first time, researchers have observed "quantum superchemistry" in the lab. Long theorized but never before seen, quantum superchemistry is a phenomenon in which atoms or molecules in the same ...