China University of Science and Technology Makes Important Progress in Ultra-cold Chemical Quantum Simulation

China University of Science and Technology Makes Important Progress in Ultra-cold Chemical Quantum Simulation

Figure: The state chemical reactions between weakly bound molecules and atoms at ultra-low temperatures

Prof. Pan Jianwei of the University of Science and Technology of China and colleagues Zhao Bo and Chen Yuji made important progress in the field of quantum simulation of supercooled molecules and supercooled chemistry. For the first time in their experiments, they observed directly between weakly bound molecules and free atoms at ultra-low temperatures. The state of the chemical reaction realizes the detection of the kinetic state of the controllable state, and thus takes an important step towards the research of supercooled quantum chemistry based on supercooled molecules. On July 4, this important research result was published in the form of a research paper in the international authoritative academic journal Nature Physics (Nature Physics 13, 699–703 (2017)).

Quantum computing and simulation have powerful parallel computing and simulation capabilities. They not only provide effective solutions for large-scale computing problems that cannot be solved by classical computers, but also can effectively reveal the laws of complex physical systems and provide guidance for new energy development and new material design. . Modeling chemical reactions and materials is one of the first possible applications of quantum computing. With quantum simulation, researchers can study millions of candidates in an artificially controlled environment, dramatically reducing the time and money invested in experimenting with real materials. As the winner of the Nobel Prize in Physics and Professor Frank Wilczek of the Massachusetts Institute of Technology pointed out in the special report “Physics of the Next 100 Years” published in Physics Today, quantum simulation “will become a chemical and material. The core tool of science."

An important direction of the kinetics of controlled chemical reactions is the study of the chemical reactions of weakly bound molecules, which can be traced back to about 40 years ago. As early as 1978, the chemist W. Stwalley pointed out that the weakly bound molecules have unusual reaction properties, and their reactions are selectively conducted through a reaction channel. However, due to the fact that weakly bound molecules cannot exist at room temperature, this prediction has not been experimentally tested for a long time. In recent years, with the development of ultra-cold atomic and molecular techniques, ultra-low temperature weakly bound molecules can be prepared from atomic gases close to absolute zero, making it possible to experimentally study the chemical reaction properties.

At temperatures close to absolute zero, the de Broglie wavelength of the molecule is much larger than the size of the interaction, so the chemical reaction is completely dominated by quantum mechanics. Quantum effects such as quantum scattering and quantum statistics will significantly change the behavior of chemical reactions. The study of ultra-cold chemistry provides unprecedented quantum state resolution, energy resolution, and regula- tion to explore the mechanism and dynamics of chemical reactions. In recent years, research on ultra-cold chemical reactions has led to a series of important experimental advances. For example, in 2010, a joint experimental team of academicians of the American Academy of Sciences D. Jin and Ye Jun observed the chemical reaction between the cesium-potassium ground state molecules at ultra-low temperatures; The R. Grimm group at Sloek University reported on the chemical reactions that occur with weakly bound oxime molecules. However, these experiments can only measure the loss of the reactants and cannot observe the products of the reaction. So far, the state of chemical reactions at ultra-low temperatures has not been experimentally achieved.

In the research results, the research team of the University of Science and Technology of China successfully observed for the first time the chemical reactions of the weakly-binding molecules and atoms in the controllable state at ultra-low temperatures. In the experiment, they cleverly used the properties of the binding energy of weakly bound molecules to precisely control the energy released in the reaction and achieved the trapping of the reaction products. On this basis, they successfully detected the molecular products and atomic products of the reaction using precise RF field operating techniques, and further studied the state reaction kinetics. The experimental results confirm the selectivity of chemical reaction channels between weakly bound molecules, validating the predictions of W. Stwalley about 40 years ago.

The significance of this experiment is that this is the first time that chemical reactions have been observed in ultra-cold chemical reactions, thus pushing the experimental study of chemical reaction kinetics to the quantum level. This work was highly evaluated by reviewers of Nature Physics. “The detection of the product of ultra-cold chemical reactions is a major research goal in this field. This work has taken the first step towards this goal.” “The work It is an important milestone in the field of ultra-cold chemistry that will arouse the wide interest of chemical and physical researchers."

The research work was supported by the Natural Science Foundation of China, the Ministry of Science and Technology, and the Chinese Academy of Sciences.

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