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Quafu-Qcover:Explore combinatorial optimization problems on cloud-based quantum computers

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Chinese Physics B 2024年第5期33卷 104-115页

作者：许宏泽庄伟峰王正安黄凯旋时运豪马卫国李天铭陈驰通许凯冯玉龙刘培陈墨李尚书杨智鹏钱辰靳羽欣马运恒肖骁钱鹏顾炎武柴绪丹普亚南张翼鹏魏世杰增进峰李行龙桂鲁金贻荣于海峰范桁刘东胡孟军 Beijing Academy of quantum Information Sciences Beijing 100193China State Key Laboratory of Low Dimensional quantum Physics Department of PhysicsTsinghua UniversityBeijing 100084China Institute of Physics Chinese Academy of SciencesBeijing 100190China Frontier Science Center for quantum Information Beijing 100184China School of physical Sciences University of Chinese Academy of SciencesBeijing 100190China CAS Center for Excellence in Topological quantum Computation UCASBeijing 100190China

We introduce Quafu-Qcover,an open-source cloud-based software package developed for solving combinatorial optimization problems using quantum simulators and hardware ***-Qcover provides a standardized and comprehensive workflow that utilizes the quantum approximate optimization algorithm(QAOA).It facilitates the automatic conversion of the original problem into a quadratic unconstrained binary optimization(QUBO)model and its corresponding Ising model,which can be subsequently transformed into a weight *** core of Qcover relies on a graph decomposition-based classical algorithm,which efficiently derives the optimal parameters for the shallow QAOA ***-Qcover incorporates a dedicated compiler capable of translating QAOA circuits into physical quantum circuits that can be executed on Quafu cloud quantum *** to a general-purpose compiler,our compiler demonstrates the ability to generate shorter circuit depths,while also exhibiting superior speed ***,the Qcover compiler has the capability to dynamically create a library of qubits coupling substructures in real-time,utilizing the most recent calibration data from the superconducting quantum *** ensures that computational tasks can be assigned to connected physical qubits with the highest *** Quafu-Qcover allows us to retrieve quantum computing sampling results using a task ID at any time,enabling asynchronous ***,it incorporates modules for results preprocessing and visualization,facilitating an intuitive display of solutions for combinatorial optimization *** hope that Quafu-Qcover can serve as an instructive illustration for how to explore application problems on the Quafu cloud quantum computers.

关键词： quantum cloud platform combinatorial optimization problems quantum software

Healing the structural defects of spinel MnFe2O4 to enhance the electrocatalytic activity for oxygen reduction reaction

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Journal of Energy chemistry 2024年第10期97卷 12-19页

作者： Manting Tang Yue Zou Zhiyong Jiang Peiyu Ma Zhiyou Zhou Xiaodi Zhu Jun Bao Shi-Gang Sun National Synchrotron Radiation Laboratory University of Science and Technology of China State Key Laboratory of physical chemistry of Solid Surfaces Department of Chemistry College of Chemistry and Chemical Engineering Xiamen University iChEM (Collaborative Innovation Center of chemistry for Energy Materials) University of Science and Technology of China

Spinel metal oxides containing Mn,Co,or Fe（AB2O4,A/B=Mn/Fe/Co） are one of the most promising nonPt electrocatalysts for oxygen reduction reaction（ORR） in alkaline ***,the low conductivity of metal oxides and the poor intrinsic activities of transition metal sites lead to unsatisfactory ORR *** this study,eutectic molten salt（EMS） treatment is employed to reconstruct the atomic arrangement of MnFe2O4electrocatalyst as a prototype for enhancing ORR *** analyses by using XAFS,soft XAS,XPS,and electrochemical methods reveal that the EMS treatment reduces the oxygen vacancies and spinel inverse in MnFe2O4effectively,which improves the electric conductivity and increases the population of more catalytically active Mn2+sites with tetrahedral ***,the enhanced Mn-O interaction after EMS treatment is conducive to the adsorption and activation of O2,which promotes the first electron transfer step（generally considered as the ratedetermining step） of the ORR *** a result,the EMS treated MnFe2O4catalyst delivers a positive shift of 40 mV in the ORR half-wave potential and a two-fold enhanced mass/specific *** work provides a convenient approach to manipulate the atomic architecture and local electronic structure of spinel oxides as ORR electrocatalysts and a comprehensive understanding of the structureperformance relationship from the molecular/atomic scale.

关键词： Eutectic molten salt Oxygen reduction reaction Oxygen vacancies Spinel inverse Spinel MnFe2O4

Strong and tough chitin hydrogel constructed by dehydration and rehydration strategy

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Nano Research 2024年第9期17卷 8192-8199页

作者： Rui-Rui Liu Li-Bo Mao Shu-Hong Yu Division of Nanomaterials and chemistry Hefei National Research Center for Physical Sciences at the MicroscaleDepartment of ChemistryInstitute of Biomimetic Materials and ChemistryAnhui Engineering Laboratory of Biomimetic MaterialsUniversity of Science and Technology of ChinaHefei 230026China Institute of Innovative Materials Department of Materials Science and EngineeringDepartment of ChemistrySouthern University of Science and TechnologyShenzhen 518055China

As a renewable,biocompatible,biodegradable soft material,chitin hydrogels have better advantages in stability,antibacterial activity,antifouling,cost,immunogenicity,and so on than most polymer ***,compared with other widely used polymer hydrogels with high strength and toughness,the practical applications of chitin-based hydrogels have been limited by their weak mechanical properties,such as cartilage repair and meniscus ***,we present the design and fabrication of chitin hydrogels with excellent mechanical strength and toughness by a dehydration and rehydration *** sequential dehydration and rehydration processes,the crystalline domains in the chitin hydrogels can be properly *** optimized crystallinity,the elastic modulus of the chitin hydrogels exceeds all previously reported values,and the fracture toughness is even comparable to some synthetic polymer hydrogels,while maintaining a high-water-content of about 80 wt.%.At the same water content,the mechanical properties of the chitin hydrogels are positively correlated with the hydrogel crystallinity,which proves that the change of mechanical properties of hydrogels is not simply dependent on weight *** hydrogels can be further strengthened by incorporating other biopolymers that are intrinsically weak,which makes the hydrogels promising for applications in fields such as cartilage repair and meniscus ***,the hydrogels enable loading and release of water-soluble and poorly water-soluble *** highly extendable strengthening and toughening strategy of chitin and chitin-based biopolymer hydrogels paves the way for their widely applications.

关键词： chitin hydrogel crystallinity rehydration chemical transformation strong and tough

Dynamic kinetic stereodivergent transformations of propargylic ammonium salts via dual nickel and copper catalysis

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Chinese Chemical Letters 2024年第8期35卷 265-269页

作者： Ruilong Geng Lingzi Peng Chang Guo Hefei National Laboratory for physical Sciences at the Microscale and department of chemistry University of Science and Technology of ChinaHefei 230026China

The dynamic kinetic asymmetric transformation of racemic propargylic ammonium salts with prochiral aldimine esters through a stereodivergent propargylation is catalyzed by dual nickel and copper ***,a diverse range of optically activeα-quaternary amino esters were produced via C-N bond cleavage with high reaction efficiency and stereoselectivity(up to>99%ee).By selection of the appropriate pair-wise combination of catalyst configurational isomers,all four possible stereoisomers of the corresponding propargylation products are obtained in high yields with excellent regio-,diastereo-,and enantioselectiv-ities.

关键词： Stereodivergent propargylation Dual catalysis C-N bond cleavage Azaomethine ylides Internal propargylic ammonium salts Excellent stereoselectivity

How interfacial electron-donating defects influence the structure and charge of gold nanoparticles on TiO_(2)support

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Nano Research 2024年第7期17卷 5965-5974页

作者： Guang-Jie Xia Yu Fu Wei Cao Jun Li Yang-Gang Wang department of chemistry and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhen 518055China School of physical Sciences Great Bay UniversityDongguan 523000China department of chemistry Tsinghua UniversityBeijing 100084China

The reduction degree of TiO_(2)support is critical to the performances of metal *** many previous theoretical calculations,only the bridge oxygen vacancy(Ov)was considered as the electron-donating defect on reduced rutile TiO_(2)(r-TiO_(2−x))***,titanium adatoms(Tiad.),oxidized titanium islands(***),and acid hydroxyls(ObrH)also exist at the metal/support *** conducting density functional theory(DFT)calculations and ab initio molecular dynamics(AIMD)simulations,we compared r-TiO_(2−x)surfaces with Ov,Tiad.,***,and ObrH sites loaded with Au nanoparticles(NPs).The results showed the Au NPs were oxygen-phobic but titanium-philic,resulting in wetting of Ov and *** short contact with *** and *** Bader charges of Au NPs(QM)showed a good linear relationship with the ideal number of donating electrons(Ne)from the defective sites(QM=−KeNe+QM,S),demonstrating the intrinsic electron allocation at the *** Ov,Tiad.,and *** exhibited similar slopes(Ke),relatively steeper than that of *** means in the scope of Au NP charge state,the *** *** have a close electron-donating ability with Ov,but the ObrH donates relatively fewer *** linear relationship can be extended approximately to other *** higher the metal work function,the steeper the Ke for easier electron donation from defective *** stronger the metal oxygen affinity,the more positive the intercept(QM,S).That explains the easy generation of metallic or negative Pt and Au NPs on r-TiO_(2−x),but hard for Cu and Zn in *** provides theoretical guidance for regulating the charge of metal NPs over TiO_(2−x)supports.

关键词： metal-support interaction titanium oxide oxygen vacancy surface hydroxyl titanium adatom

Progress on the antiferromagnetic topological insulator MnBi2Te4

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National Science Review 2024年第2期11卷 33-49页

作者： Shuai Li Tianyu Liu Chang Liu Yayu Wang Hai-Zhou Lu X.C.Xie department of Physics Harbin Institute of Technology Shenzhen Institute for quantum Science and Engineering and department of Physics Southern University of Science and Technology(SUSTech) quantum Science Center of Guangdong-Hong Kong-Macao Greater Bay Area(Guangdong) Shenzhen Key Laboratory of quantum Science and Engineering International quantum Academy Beijing Academy of quantum Information Sciences Beijing Key Laboratory of Optoelectronic Functional Materials&Micro-Nano Devices Department of Physics Renmin University of China State Key Laboratory of Low Dimensional quantum Physics Department of PhysicsTsinghua University Frontier Science Center for quantum Information Hefei National Laboratory International Center for quantum Materials School of Physics Peking University Institute for Nanoelectronic Devices and quantum Computing Fudan University

Topological materials, which feature robust surface and/or edge states, have now been a research focus in condensed maTher physics. They represent a new class of materials exhibiting nontrivial topological phases,and provide a platform for exploring exotic transport phenomena, such as the quantum anomalous Hall effect and the quantum spin Hall effect. Recently, magnetic topological materials have attracted considerable interests due to the possibility to study the interplay between topological and magnetic *** particular, the quantum anomalous Hall and axion insulator phases can be realized in topological insulators with magnetic order. MnBi2Te4, as the first intrinsic antiferromagnetic topological insulator discovered, allows the examination of existing theoretical predictions; it has been extensively studied, and many new discoveries have been made. Here we review the progress made on MnBi2Te4from both experimental and theoretical aspects. The bulk crystal and magnetic structures are surveyed first, followed by a review of theoretical calculations and experimental probes on the band structure and surface states, and a discussion of various exotic phases that can be realized in MnBi2Te4. The properties of MnBi2Te4thin films and the corresponding transport studies are then reviewed, with an emphasis on the edge state transport. Possible future research directions in this field are also discussed.

关键词： MnBi2Te4 magnetic topological insulator antiferromagnetic quantum anomalous Hall effect axion insulator

Lorentz violation induces isospectrality breaking in Einstein-bumblebee gravity theory

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Science China(Physics,Mechanics & Astronomy) 2024年第8期67卷 87-96页

作者： Wentao Liu Xiongjun Fang Jiliang Jing Jieci Wang department of Physics Key Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of EducationSynergetic Innovation Center for Quantum Effects and ApplicationsHunan Normal UniversityChangsha 410081China

In this study,we investigate the quasinormal modes(QNMs)of a Lorentz-violating spacetime,factoring in a cosmological constant,within the framework of Einstein-bumblebee *** findings reveal that the interaction of spacetime with an anisotropic bumblebee field imparts distinct contributions to the axial and polar sectors of the vector *** subsequently breaks the isospectrality typically observed in vector *** evidence strongly indicates isospectral breaking in the vector modes of Einstein-bumblebee black holes:a pronounced breakage in the real part of the frequencies,while the imaginary component seems less *** isospectral breaking indicates the existence of two different waveforms in the Ringdown phase of the black hole,which provides a potential signal of quantum gravity observable in current experiments.

关键词： Lorentz-violating isospectral breaking quasinormal modes

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Gravitational wave fluxes on generic orbits in near-extreme Kerr spacetime:Higher spin and large eccentricity

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Science China(Physics,Mechanics & Astronomy) 2024年第11期67卷 16-28页

作者： Changkai Chen Jiliang Jing department of Physics Key Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of EducationSynergetic Innovation Center for Quantum Effects and ApplicationsHunan Normal UniversityChangsha 410081China

To accurately obtain the waveform template of gravitational waves, substantial computational resources and extremely high precision are often required. In a previous study, we employed the confluent Heun function to obtain an exact solution to the Teukolsky equation. This approach allowed us to efficiently and accurately calculate the gravitational wave flux for a particle in circular orbits around a Schwarzschild black hole. Building on this method, we now extend its application to calculate the asymptotic gravitational wave fluxes from a particle in generic orbits around a near-extreme Kerr black hole. Our extended method proves particularly effective in handling computational challenges associated with large eccentricities(e = 0.9), higher spins(a = 0.999), higher harmonic modes, and strong-field regions. The results we obtained significantly outperform those derived from the numerical integration method based on the Mano-Suzuki-Takasugi method.

关键词： gravitational wave fluxes exact solution Teukolsky equation near-extreme Kerr black hole

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Merger estimates for a disformal Kerr black hole in quadratic degenerate higher-order scalar-tensor theories

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Chinese Physics C 2024年第5期48卷 284-292页

作者：蒋洪鑫杜欣怡潘启沅陈松柏荆继良 Key Laboratory of Low Dimensional quantum Structures and quantum Control of Ministry of Education Synergetic Innovation Center for Quantum Effects and Applicationsand Department of PhysicsHunan Normal UniversityChangsha 410081China Institute of Interdisciplinary Studies Hunan Normal UniversityChangsha 410081China Center for Gravitation and Cosmology College of Physical Science and TechnologyYangzhou UniversityYangzhou 225009China

We investigate the main features of a disformal Kerr black hole merger in quadratic degenerate higher-order scalar-tensor *** the ringdown stage of the black hole merger,for the prograde orbit,the real part of the quasinormal modes decreases with an increase in the disformal parameter,and the imaginary part also decreases,except in the Kerr case for a large spin ***,for the retrograde orbit,the real part increases with an increase in the disformal parameter,and the imaginary part always decreases with *** the approximate final spin,regardless of an equal spin,unequal spin,or generic spin configuration merger,the final black hole spin always increases with an increase in the disformal *** results show that the disformal parameter in the disformal Kerr solution and the MOG parameter in the Kerr-MOG case have obviously different effects on the black hole merger,which suggests the differences between these two spacetime structures.

关键词： black hole merger quasinormal modes final black hole spin disformal Kerr black hole quadratic degenerate higher-order scalar-tensor(DHOST)theory