A quantum computational solution for engineering materials. Researchers at Argonne explore the possibility of solving the electronic structures of complex molecules using a quantum computer. If you know the atoms that compose a particular molecule or solid material, the interactions between thos
Researchers have developed a new hybrid simulation process using quantum computers to solve electronic structure problems, potentially enabling quantum computers to tackle more complex chemical structures in the future.Researchers at Argonne explore the possibility of solving the electronic structures of complex molecules using a quantum computer.
’s Pritzker School of Molecular Engineering and Department of Chemistry have explored the possibility of solving these electronic structures using a quantum computer. Unlike conventional computers that store information in binary bits, quantum computers use qubits that can exist in superposition of states, letting them solve certain problems more easily and quickly. Computational chemists have debated whether and when quantum computers might eventually be able to tackle the electronic structure problem of complex materials better than conventional computers. However, today’s quantum computers remain relatively small and produce noisy data.
Even with these weaknesses, Galli and her colleagues wondered whether they still could make progress in creating the underlying quantum computational methods required to solve electronic structure problems on quantum computers.The question we really wanted to address is what is possible to do with the current state of quantum computers,” Govoni said.
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