A new approach to simulate molecules on a quantum computer




At the core of stakes, we have seven-qubit quantum processor to address the molecular structure problem; we have near-term quantum systems to enhance our understanding of complex chemical reactions that could lead to practical applications; the interplay of atoms and molecules; use quantum computers to wholly analyze molecules and chemical reactions, more personalized drugs, or discovery of more efficient and sustainable energy sources, to name a few.

In effect, IBM scientists have developed a new approach to simulate molecules on a quantum computer that may one day help revolutionize chemistry and materials science.
One can observe that, the scientists successfully used a seven-qubit quantum processor to address the molecular structure problem for beryllium hydride (BeH2), the largest molecule simulated on a quantum computer to date.
According to IBM, the results demonstrate a path of exploration for near-term quantum systems to enhance our understanding of complex chemical reactions that could lead to practical applications.
The team implemented a novel algorithm that is efficient with respect to the number of quantum operations required for the simulation.

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