The First Application of a Swedish Quantum Computer to Chemistry has Taken Place
The potential of quantum computer to revolutionize the field of chemistry and enable the simulation of complex chemical processes could have significant implications for the development of new pharmaceuticals and materials. Recently, researchers at Chalmers University successfully carried out calculations within a real-life chemistry case, marking the first time this has been achieved in Sweden.
The Department of Chemistry and Chemical Engineering’s Associate Professor in Theoretical Chemistry, Martin Rahm, led a study demonstrating that quantum computers can handle complex electron and atomic nuclei movements, pushing the boundaries of what scientists can calculate and comprehend. Unlocking the full potential of quantum computers could lead to a new era of possibilities for computational chemistry.
Quantum mechanics, which is used in the field of quantum chemistry, determines possible chemical reactions, structures, and materials, as well as their properties. Although these studies are typically conducted using supercomputers with conventional logical circuits, there is a limit to the calculations that these machines can handle.
The new method reduces errors in quantum chemical calculations
Due to the laws of quantum mechanics that dictate the behavior of nature at a subatomic level, several scientists suggest that quantum computers may be more adept at conducting molecular calculations than conventional computers.This hypothesis stems from the unique properties of quantum computing, which allow for the exploitation of quantum mechanical phenomena to perform calculations in ways that classical computers cannot replicate. As a result, quantum computers could offer a significant advantage in molecular-level simulations and calculations, opening up new frontiers in chemistry research.
To reduce errors in quantum chemical calculations, scientists have discovered a promising technique called Reference-State Error Mitigation (REM), which corrects for errors caused by noise in quantum computers.
Researchers have developed a technique called “Reference-State Error Mitigation” that enables high-accuracy quantum computation of chemistry by comparing calculations from both quantum and conventional computers. This approach allows scientists to estimate the amount of error caused by noise and correct the solution for the original complex problem. The findings have been published in the Journal of Chemical Theory and Computation.
Chalmers University scientists have developed a unique REM (Reference Energy Method) technique that enables the computation of intrinsic energy for small molecules such as hydrogen and lithium hydride using the quantum computer, Särimner. While this calculation can be performed faster on conventional computers, this new approach marks a significant milestone in quantum chemical computation in Sweden as it is the first demonstration of such a calculation on a quantum computer.
Quantum computer built at Chalmers
The study was conducted in collaboration with colleagues from the Department of Microtechnology and Nanoscience, who were responsible for constructing the quantum computers used in the research and performing the precise measurements necessary for the chemical calculations.
According to Jonas Bylander, Associate Professor in Quantum Technology at the Department of Microtechnology and Nanoscience, real quantum algorithms are essential to understanding the performance of quantum hardware and identifying opportunities for improvement. By leveraging the potential of quantum computers in chemical calculations, the collaboration with Martin Rahm’s group holds significant value.
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