Quantum chemical calculations have become indispensable in modern molecular science, providing detailed insights into the electronic structures and conformational landscapes of complex systems. By ...

The study of silicon chemistry has long intrigued researchers due to silicon’s pivotal role in materials science, electronics, and catalysis. Its capacity to form a variety of coordination ...

A quantum algorithm capable of performing quantum circuits parallelism and full configuration interactions calculations in any open shell molecules without ...

Researchers at the University of St Andrews have revealed that they have found a key to unlocking an 80-year-old chemical ...

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 ...

Although I agree fully with Vernon Box that caution should be exercised in using quantum chemical (QC) calculations, some of his comments need further clarification and expansion (C&EN, Sept. 26, page ...

The OCU group said, "This is the first example of practical quantum algorithms, which make quantum chemical calculations realizable on quantum computers equipped with a sizable number of qubits. These ...