Physical Chemistry Chemical Physics
02 Sep 2021
Researchers have developed a general quantum algorithm that can directly calculate the energy difference of an atom and molecule using a quantum computer. By avoiding the need to calculate the total molecular energies, the general algorithm is expected to be applied not only to quantum chemical calculations but also to various physical and mathematical problems, which are intractable with nowadays classical computers.
25 Sep 2020
Researchers at Osaka City University create a quantum algorithm that removes spin contaminants while making chemical calculations on quantum computers. This allows for predictions of electronic and molecular behavior with degrees of precision not achievable with classical computers and paves the way for practical quantum computers to become a reality.
29 May 2020
(1) The development of solid state and time-step VCD methods opened a new horizon to reveal the mechanism of chirality amplification from microscopic to supramolecular scales. (2) The authors were selected as PCCP Emerging Investigators of the Royal Society of Chemistry.
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