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The model reduction of a mesoscopic kinetic dynamics to a macroscopic continuum dynamics has been one of the fundamental questions in mathematical physics since Hilbert's time. In this paper, we consider a diagram of the diffusion limit from the Vlasov-Poisson-Fokker-Planck (VPFP) system on a bounded interval with the specular reflection boundary condition to the Poisson-Nernst-Planck (PNP) system with the no-flux boundary condition. We provide a Deep Learning algorithm to simulate the VPFP system and the PNP system by computing the time-asymptotic behaviors of the solution and the physical quantities. We analyze the convergence of the neural network solution of the VPFP system to that of the PNP system via the Asymptotic-Preserving (AP) scheme. Also, we provide several theoretical evidence that the Deep Neural Network (DNN) solutions to the VPFP and the PNP systems converge to the a priori classical solutions of each system if the total loss function vanishes., Comment: 49 pages, 16 figures

We examine the concurrence and entanglement entropy in quantum spin chains with random long-range couplings, spatially decaying with a power-law exponent $\alpha$. Using the strong disorder renormalization group (SDRG) technique, we find by analytical solution of the master equation a strong disorder fixed point, characterized by a fixed point distribution of the couplings with a finite dynamical exponent, which describes the system consistently in the regime $\alpha > 1/2$. A numerical implementation of the SDRG method yields a power law spatial decay of the average concurrence, which is also confirmed by exact numerical diagonalization. However, we find that the lowest-order SDRG approach is not sufficient to obtain the typical value of the concurrence. We therefore implement a correction scheme which allows us to obtain the leading order corrections to the random singlet state. This approach yields a power-law spatial decay of the typical value of the concurrence, which we derive both by a numerical implementation of the corrections and by analytics. Next, using numerical SDRG, the entanglement entropy (EE) is found to be logarithmically enhanced for all $\alpha$, corresponding to a critical behavior with an effective central charge $c = {\rm ln} 2$, independent of $\alpha$. This is confirmed by an analytical derivation. Using numerical exact diagonalization (ED), we confirm the logarithmic enhancement of the EE and a weak dependence on $\alpha$. For a wide range of distances $l$, the EE fits a critical behavior with a central charge close to $c=1$, which is the same as for the clean Haldane-Shastry model with a power-la-decaying interaction with $\alpha =2$. Consistent with this observation, we find using ED that the concurrence shows power law decay, albeit with smaller power exponents than obtained by SDRG., Comment: 23 pages, 28 figures (included appendix)

For decades of catalysis research, the d-band center theory that correlates the d-band center and the adsorbate binding energy has successfully enabled the accelerated discovery of novel catalyst materials. Recent studies indicate that, on top of the d-band center value, the full consideration of the d-band shapes describing higher moments of the d-band as well as sp-band properties can help better capturing surface reactivity. However, the density-of-states (DOS) patterns themselves have never been used as a descriptor in combined computational-experimental studies. Here, we propose the full DOS patterns as a key descriptor in high-throughput screening protocols, and prove its effectiveness. For the hydrogen peroxide (H2O2) synthesis as our demo catalytic reaction, the present study focuses on discovering bimetallic catalysts that can replace the prototypic palladium (Pd) one. Through a series of screening processes based on DOS pattern similarities (evaluated using first-principles calculations) and synthetic feasibility, 9 candidates are finally proposed out of 4,350 bimetallic alloy, which then are expected to have a catalytic performance comparable to that of Pd. The subsequent experimental tests demonstrate that 4 bimetallic catalysts (Ni61Pt39, Au51Pd49, Pt52Pd48, Pd52Ni48) indeed exhibit the catalytic properties comparable to those of Pd. Moreover, we discovered a novel bimetallic (Ni-Pt) catalyst, which has not yet been reported for H2O2 direct synthesis. In particular, Ni61Pt39 outperforms the prototypical Pd catalyst for the chemical reaction and exhibits a 9.5-fold enhancement in cost-normalized productivity. This protocol provides a new opportunity for the catalyst discovery for the replacement or reduction in use of the platinum-group metals.

A quantum receiver is an essential element of quantum illumination (QI) which outperforms its classical counterpart, called classical-illumination (CI). However, there are only few proposals for realizable quantum receiver, which exploits nonlinear effects leading to increasing the complexity of receiver setups. To compensate this, in this article, we design a quantum receiver with linear optical elements for Gaussian QI. Rather than exploiting nonlinear effect, our receiver consists of a 50:50 beam splitter and homodyne detection. Using double homodyne detection after the 50:50 beam splitter, we analyze the performance of the QI in different regimes of target reflectivity, source power, and noise level. We show that our receiver has better signal-to-noise ratio and more robust against noise than the existing simple-structured receivers., Comment: 9 pages, 6 figures

Contrasting ground states of quantum magnets with the integer and half-integer spin moments are the manifestation of many-body quantum interference effects. In this work, we investigate the distinct nature of the integer and half-integer spin quantum spin liquids in the framework of the Kitaev's model on the honeycomb lattice. The models with arbitrary spin quantum numbers are not exactly solvable in contrast to the well-known quantum spin liquid solution of the spin-1/2 system. We use the tensor network wavefunctions for the integer and half-integer spin quantum spin liquid states to unveil the important difference between these states. We find that the distinct sign structures of the tensor network wavefunction for the integer and half-integer spin quantum spin liquids are responsible for completely different ground states in the spatially anisotropic limit. Hence the spatial anisotropy would be a useful diagnostic test for distinguishing these quantum spin liquid states, both in the numerical computations and experiments on real materials. We support this discovery via extensive numerics including the tensor network, DMRG, and exact diagonalization computations.

The structures, as building-blocks for designing functional nanomaterials, have fueled the development of versatile nanoprobes to understand local structures of noncrystalline specimens. Progresses in analyzing structures of individual specimens with atomic scale accuracy have been notable recently. In most cases, however, only a limited number of specimens are inspected lacking statistics to represent the systems with structural inhomogeneity. Here, by employing single-particle imaging with X-ray free electron lasers and new algorithm for multiple-model 3D imaging, we succeeded in investigating several thousand specimens in a couple of hours, and identified intrinsic heterogeneities with 3D structures. Quantitative analysis has unveiled 3D morphology, facet indices and elastic strains. The 3D elastic energy distribution is further corroborated by molecular dynamics simulations to gain mechanical insight at atomic level. This work establishes a new route to high-throughput characterization of individual specimens in large ensembles, hence overcoming statistical deficiency while providing quantitative information at the nanoscale.

Coherent conversion from microwave to optical wave opens new research avenues towards long distant quantum network covering quantum communication, computing, and sensing out of the laboratory. Especially multi-mode enabled system is essential for practical applications. Here we experimentally demonstrate coherent multi-mode conversion from the microwave to optical wave via collective spin excitation in a single crystal yttrium iron garnet (YIG, Y3Fe5O12) which is strongly coupled to a microwave cavity mode in a three-dimensional rectangular cavity. Expanding collective spin excitation mode of our magnon-cavity hybrid system from Kittel to multi magnetostatic modes, we verify that the size of YIG sphere predominantly plays a crucial role for the microwave-to-optical multi-mode conversion efficiency at resonant conditions. We also find that the coupling strength between multi magnetostatic modes and a cavity mode is manipulated by the position of a YIG inside the cavity. It is expected to be valuable for designing a magnon hybrid system that can be used for coherent conversion between microwave and optical photons., Comment: 12 page, 7 figures, accepted in PRB

We have investigated the thermal-transport properties of the kagome antiferromagnet Cd-kapellasite (Cd-K). We find that a field suppression effect on the longitudinal thermal conductivity k_xx sets in below ~25 K, suggesting a large spin contribution k_xx^sp in k_xx. We also find clear thermal Hall signals in the spin liquid phase in all Cd-K samples. The magnitude of the thermal Hall conductivity k_xy shows a significant dependence on the sample's scattering time. On the other hand, the temperature dependence of k_xy is similar in all Cd-K samples; k_xy shows a peak at almost the same temperature of the peak of the phonon thermal conductivity k_xy^ph which is estimated by k_xx at 15 T. These results indicate the presence of a dominant phonon thermal Hall k_xy^ph at 15 T. In addition to k_xy^ph, we find that the field dependence of k_xy at low fields turns out to be non-linear at low temperatures, concomitantly with the appearance of the field suppression of k_xx, indicating the presence of a spin thermal Hall k_xy^sp at low fields. Remarkably, by assembling the k_xx dependene of k_xy^sp data of other kagome antiferromagnets, we find that, whereas k_xy^sp stays a constant in the low-k_xx region, k_xy^sp starts to increase as k_xx does in the high-k_xx region. This k_xx dependence of k_xy^sp indicates the presence of both intrinsic and extrinsic mechanisms in the spin thermal Hall effect in kagome antiferromagnets. Furthermore, both k_xy^ph and k_xy^sp disappear in the antiferromagnetic ordered phase at low fields, showing that phonons alone do not exhibit the thermal Hall effect. A high field above ~7 T induces k_xy^ph, concomitantly with a field-induced increase of k_xx and the specific heat, suggesting a coupling of the phonons to the field-induced spin excitations as the origin of k_xy^ph., Comment: 33 pages, 16 figures; analyses and figures for the heat capacity and the spin thermal Hall effect were added

We propose a simple variational wave function that captures the correct ground state energy of the spin-1 Heisenberg chain model to within 0.04\%. The wave function is written in the matrix product state (MPS) form with the bond dimension $D=8$, and characterized by three fugacity parameters. The proposed MPS generalizes the Affleck-Kennedy-Lieb-Tasaki (AKLT) state by dressing it with dimers, trimers, and general $q$-dimers. The fugacity parameters control the number and the average size of the $q$-mers. Furthermore, the $D=8$ variational MPS state captures the ground states of the entire family of bilinear-biquadratic Hamiltonian belonging to the Haldane phase to high accuracy. The 2-4-2 degeneracy structure in the entanglement spectrum of our MPS state is found to match well with the results of density matrix renormalization group (DMRG) calculation, which is computationally much heavier. Spin-spin correlation functions also find excellent fit with those obtained by DMRG.

Quantum-enhanced sensing has a goal of enhancing a parameter sensitivity with input quantum states, while quantum illumination has a goal of enhancing a target detection capability with input entangled states in a heavy noise environment. Here we propose a concatenation between quantum-enhanced sensing and quantum illumination that can take quantum advantage over the classical limit. First, phase sensing in an interferometry is connected to a target sensing via quantum Fisher information. Second, the target sensitivity is investigated in noisy quantum-enhanced sensing. Under the same input state energy, for example, N-photon entangled states can exhibit better performance than a two-mode squeezed vacuum state and a separable coherent state. Incorporating a photon-number difference measurement, finally, the noisy target sensitivity is connected to a signal-to-noise ratio which is associated with a minimum error probability of discriminating the presence and absence of the target. We show that both the target sensitivity and the signal-to-noise ratio can be enhanced with increasing thermal noise., Comment: 6+1 pages, 5 figures, close to the published version

In this paper, we are interested in detecting the presence of a nearby phase-sensitive object, where traveling light works out under a low-photon loss rate. Here we investigate the optimal quantum phase estimation with generalized multi-component Schrodinger cat states. In addition, we show the optimal conditions of the generalized multi-component cat states for the phase estimation in a lossless scenario. We then demonstrate that the generalized multi-component cat states can beat the performances of the NOON and two-mode squeezed vacuum states in the presence of small loss, while maintaining the quantum advantage over the standard quantum limit, attainable by coherent states. Finally, we propose a generation scheme of the entangled multi-component cat states with current or near-term optical technologies., Comment: 8 pages, 5 figures

The issue of the relaxation to equilibrium has been at the core of the kinetic theory of rarefied gas dynamics. In the paper, we introduce the Deep Neural Network (DNN) approximated solutions to the kinetic Fokker-Planck equation in a bounded interval and study the large-time asymptotic behavior of the solutions and other physically relevant macroscopic quantities. We impose the varied types of boundary conditions including the inflow-type and the reflection-type boundaries as well as the varied diffusion and friction coefficients and study the boundary effects on the asymptotic behaviors. These include the predictions on the large-time behaviors of the pointwise values of the particle distribution and the macroscopic physical quantities including the total kinetic energy, the entropy, and the free energy. We also provide the theoretical supports for the pointwise convergence of the neural network solutions to the \textit{a priori} analytic solutions. We use the library \textit{PyTorch}, the activation function \textit{tanh} between layers, and the \textit{Adam} optimizer for the Deep Learning algorithm., Comment: 31 pages, 13 figures

Recently there has been a great interest in understanding quantum spin liquid phases with varying spin magnitude, partly due to possible material realizations. A number of recent numerical computations suggest that the ground state of the S=1 Kitaev model may be a quantum spin liquid in analogy to the renowned $S$=$1/2$ model. On the other hand, the nature of the ground state remains elusive since the $S$=$1$ model is not exactly solvable in contrast to the $S$=$1/2$ model. In this work, we construct a tensor network ground state wavefunction for the S=1 Kitaev model, which is explicitly written in terms of physical spin operators. We explain how this class of wavefunctions can be successfully used for variational computations and compare the outcomes to known results on finite size systems. We establish the existence of distinct topological sectors on torus by constructing the minimally entangled states in the degenerate ground state manifold and evaluating topological entanglement entropy. Our results suggest that the ground state of the S=1 Kitaev model is a gapped quantum spin liquid with Z2 gauge structure and Abelian quasiparticles.