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In the quantum anomalous Hall (QAH) effect, chiral edge states are present in the absence of magnetic fields due to the intrinsic band topology. In this work, we predict that a synthesized two-dimensional metal-organic material, a Fe(biphenolate)$_3$ network, can be a unique QAH insulator, in which there are three consecutive nontrivial bandgaps. Based on first-principles calculations with effective model analysis, we reveal such nontrivial topology is from the $3$d$_{xz}$ and $3$d$_{yz}$ orbitals of Fe atoms. Moreover, we further study the effect of substrates, and the results shows that the metallic substrates used in the experiments (Ag and Cu) are unfavorable for observing the QAH effect whereas a hexagonal boron nitride substrate with a large bandgap may be a good candidate, where the three consecutive QAH gaps appear inside the substrate gap. The presence of three consecutive bandgaps near the Fermi level will significantly facilitate observations of the QAH effect in experiments.

Computational discovery of ideal lead compounds is a critical process for modern drug discovery. It comprises multiple stages: hit screening, molecular property prediction, and molecule optimization. Current efforts are disparate, involving the establishment of models for each stage, followed by multi-stage multi-model integration. However, this is non-ideal, as clumsy integration of incompatible models increases research overheads, and may even reduce success rates in drug discovery. Facilitating compatibilities requires establishing inherent model consistencies across lead discovery stages. Towards that effect, we propose an open deep graph learning (DGL) based pipeline: generative adversarial feature subspace enhancement (GAFSE), which first unifies the modeling of these stages into one learning framework. GAFSE also offers standardized modular design and streamlined interfaces for future expansions and community support. GAFSE combines adversarial/generative learning, graph attention network, graph reconstruction network, and optimizes the classification/regression loss, adversarial/generative loss, and reconstruction loss simultaneously. Convergence analysis theoretically guarantees model generalization performance. Exhaustive benchmarking demonstrates that the GAFSE pipeline achieves excellent performance across almost all lead discovery stages, while also providing valuable model interpretability. Hence, we believe this tool will enhance the efficiency and productivity of drug discovery researchers., Comment: This article is used as the preliminary studies for the application of Lee Kuan Yew Postdoctoral Fellowship (LKYPDF) 2023 in Singapore. All rights reserved

Based on the Bogoliubov-de Gennes equations, we investigate the transport of the Josephson current in a S/$f_L$-F$_1$-$f_C$-F$_2$-$f_R$/S junction, where S and F$_{1,2}$ are superconductors and ferromagnets, and $f_{L, C, R}$ are the left, central, and right spin-active interfaces. These interfaces have noncollinear magnetizations, and the azimuthal angles of the magnetizations at the $f_{L, C, R}$ interfaces are $\chi_{L, C, R}$. We demonstrate that, if both the ferromagnets have antiparallel magnetizations, the critical current oscillates as a function of the exchange field and the thickness of the ferromagnets for particular $\chi_L$ or $\chi_R$. By contrast, when the magnetization at the $f_C$ interface is perpendicular to that at the $f_L$ and $f_R$ interfaces, the critical current reaches a larger value and is hardly affected by the exchange field and the thickness. Interestingly, if both the ferromagnets are converted to antiparallel half-metals, the critical current maintains a constant value and rarely changes with the ferromagnetic thicknesses and the azimuthal angles. At this time, an anomalous supercurrent can appear in the system, in which case the Josephson current still exists even if the superconducting phase difference $\phi$ is zero. This supercurrent satisfies the current-phase relation $I=I_c\sin(\phi+\phi_0)$ with $I_c$ being the critical current and $\phi_0=2\chi_C-\chi_L-\chi_R$. We deduce that the additional phase $\phi_0$ arises from phase superposition, where the phase is captured by the spin-triplet pairs when they pass through each spin-active interface. In addition, when both the ferromagnets are transformed into parallel half-metals, the $f_C$ interface never contributes any phase to the supercurrent and $\phi_0=\chi_R-\chi_L+\pi$. In such a case, the current-phase relation is similar to that in a S/$f_L$-F-$f_R$/S junction.

We propose a new scheme for optical quantum simulation of topological systems: by using optical systems to simulate the variation of eigenstates of topological systems in momentum space, we can obtain the information of topological numbers. In this paper the scheme is applied to the one-dimensional (1D) Su-Schrieffer-Heeger (SSH) model and the two-dimensional (2D) Bernevig-Hughes-Zhang (BHZ) model. In addition, in order to apply our scheme to 2D topological systems, we design a method of calculating topological numbers by line integral. Furthermore, we propose a more effective optical simulation scheme for the 2D topological system: we do the optical simulation around discontinuity points to obtain the vorticity of every discontinuity points and the topological number is just the sum of the vorticity of all discontinuity points., Comment: 21 pages, 10 figures

The measurement of topological number is crucial in the research of topological systems. Recently, the relations between the topological number and the dynamics are built. But a direct method to read out the topological number via the dynamics is still lacking. In this work, we propose a new dynamical protocol to directly measure the topological number of an unknown system. Different from common quench operations, we change the Hamiltonian of the unknown system to another one with known topological properties. After the quench, different initial states result in different particle number distributions on the post-quench final Bloch bands. Such distributions depend on the wavefunction overlap between the initial Bloch state and the final Bloch state, which is a complex number depending on the momentum. We prove a theorem that when the momentum varies by $2\pi$, the phase of the wavefunction overlap change by $\Delta n\pi$ where $\Delta n$ is the topological number difference between the initial Bloch band and the final Bloch band. Based on this and the known topological number of the final Bloch band, we can directly deduce the topological number of the initial state from the particle number distribution and need not track the evolution of the system nor measure the spin texture. Two experimental schemes are also proposed as well. These schemes provide a convenient and robust measurement method and also deepens the understanding of the relation between topology and dynamics.

A topological order is a new quantum phase that is beyond Landau's symmetry-breaking paradigm. Its defining features include robust degenerate ground states, long-range entanglement and anyons. It was known that $R$- and $F$-matrices, which characterize the fusion-braiding properties of anyons, can be used to uniquely identify topological order. In this article, we explore an essential question: how can the $R$- and $F$-matrices be experimentally measured? By using quantum simulations based on a toric code model with boundaries and state-of-the-art technology, we show that the braidings, i.e. the $R$-matrices, can be completely determined by the half braidings of boundary excitations due to the boundary-bulk duality and the anyon condensation. The $F$-matrices can also be measured in a scattering quantum circuit involving the fusion of three anyons in two different orders. Thus we provide an experimental protocol for measuring the unique identifiers of topological order., Comment: 12 pages, 6 figures, 1 table

How to characterize topological quantum phases is a fundamental issue in the broad field of topological matter. From a dimension reduction approach, we propose the concept of high-order band inversion surfaces (BISs) which enable the optimal schemes to characterize equilibrium topological phases by far-from-equilibrium quantum dynamics, and further report the experimental simulation. We show that characterization of a d-dimensional (dD) topological phase can be reduced to lower-dimensional topological invariants in the high-order BISs, of which the nth-order BIS is a (d-n)D interface in momentum space. In quenching the system from trivial phase to topological regime, we unveil a high-order dynamical bulk-surface correspondence that the quantum dynamics exhibits nontrivial topological pattern in arbitrary nth-order BISs, which universally corresponds to and so characterizes the equilibrium topological phase of the post-quench Hamiltonian. This high-order dynamical bulk-surface correspondence provides new and optimal dynamical schemes with fundamental advantages to simulate and detect topological states, in which through the highest-order BISs that are of zero dimension, the detection of topological phase relies on only minimal measurements. We experimentally build up a quantum simulator with spin qubits to investigate a 3D chiral topological insulator through emulating each momentum one by one and measure the high-order dynamical bulk-surface correspondence, with the advantages of topological characterization via highest-order BISs being demonstrated.

Quantum computing hardware has received world-wide attention and made considerable progress recently. YIG thin film have spin wave (magnon) modes with low dissipation and reliable control for quantum information processing. However, the coherent coupling between a quantum device and YIG thin film has yet been demonstrated. Here, we propose a scheme to achieve strong coupling between superconducting flux qubits and magnon modes in YIG thin film. Unlike the direct $\sqrt{N}$ enhancement factor in coupling to the Kittel mode or other spin ensembles, with N the total number of spins, an additional spatial dependent phase factor needs to be considered when the qubits are magnetically coupled with the magnon modes of finite wavelength. To avoid undesirable cancelation of coupling caused by the symmetrical boundary condition, a CoFeB thin layer is added to one side of the YIG thin film to break the symmetry. Our numerical simulation demonstrates avoided crossing and coherent transfer of quantum information between the flux qubits and the standing spin waves in YIG thin films. We show that the YIG thin film can be used as a tunable switch between two flux qubits, which have modified shape with small direct inductive coupling between them. Our results manifest that it is possible to couple flux qubits while suppressing undesirable cross-talk., Comment: 13 pages, 4 figures

In human memory, forgetting occur rapidly after the remembering and the rate of forgetting slowed down as time went. This is so-called the Ebbinghaus forgetting curve. There are many explanations of how this curve occur based on the properties of the brains. In this article, we use a simple mathematical model to explain the mechanism of forgetting based on rearrangement inequality and get a general formalism for short-term and long-term memory and use it to fit the Ebbinghaus forgetting curve. We also find out that forgetting is not a flaw, instead it is help to improve the efficiency of remembering when human confront different situations by reducing the interference of information and reducing the number of retrievals. Furthurmove, we find that the interference of informations limits the capacity of human memory, which is the "magic number seven"., Comment: 4 pages, 2 figures