The algorithms could also benefit AI by generating large, diverse datasets to train models or by enabling quantum-enhanced ...

IBM scientists have developed a new approach to simulate molecules on a quantum computer that may one day help revolutionize chemistry and materials science. The scientists successfully used a ...

Quantum chemistry is very hard. The best quantum computing chemistry seems to be at the level of 12 qubits / 12 atoms. Supercomputer simulations can handle 20 qubits and 20 atoms simulation. There are ...

It’s hard to overestimate the impact of computer-based calculations on chemistry. Even if measured strictly by the importance of quantum mechanical calculations, which many chemists consider ...

In the fast-paced, complicated world of quantum chemistry, A.I.’s are used to help chemists calculate important chemical properties and make predictions about experimental outcomes. But, in order to ...

Quantum computing has the potential to help industrial chemists answer important questions and make game-changing scientific breakthroughs. Chemists at BMW, for instance, have been using quantum ...

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 quantum number describes the energies of electrons in atoms. Each quantum number specifies the value of a conserved quantity in the dynamics of the quantum system. Since any quantum system can have ...