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At least 433 records · Page 24

A study of pseudoresonances in the application of the Schwinger variational principle to electron scattering from atomic hydrogen

The Schwinger variational principle is applied to s-wave electron-hydrogen atom scattering. Computationally, consistent with a recent paper by Apagyi et al. (1988), there are pseudoresonances at the static exchange level of approximation, but not at the static level. The T-matrix as well as the K-matrix version of the Schwinger principle is used with a real Slater basis, and the same results are obtained in both. The origin of the pseudoresonances from singularities in the separable potential that is effectively employed in the Lippman-Schwinger equation from which the Schwinger variational principle can be derived. The determination of the pseudoresonance parameters from the separable potential is computationally inexpensive and may be used to predict the pseudoresonance parameters for the scattering calculations so as to avoid them.

Weatherford, Charles A.↗

Influence of interfacial shear strength on the mechanical properties of SiC fiber reinforced reaction-bonded silicon nitride matrix composites

The influence of fiber/matrix interface microstructure and interfacial shear strength on the mechanical properties of a fiber-reinforced ceramic composite was evaluated. The composite consisted of approximately 30 vol percent uniaxially aligned 142 microns diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix (SiC/RBSN). The interface microstructure was varied by controlling the composite fabrication conditions and by heat treating the composite in an oxidizing environment. Interfacial shear strength was determined by the matrix crack spacing method. The results of microstructural examination indicate that the carbon-rich coating provided with the as-produced SiC fibers was stable in composites fabricated at 1200 C in a nitrogen or in a nitrogen plus 4 percent hydrogen mixture for 40 hr. However this coating degraded in composites fabricated at 1350 C in N2 + 4 percent H2 for 40 and 72 hr and also in composites heat treated in an oxidizing environment at 600 C for 100 hr after fabrication at 1200 C in a nitrogen. It was determined that degradation occurred by carbon removal which in turn had a strong influence on interfacial shear strength and other mechanical properties. Specifically, as the carbon coating was removed, the composite interfacial shear strength, primary elastic modulus, first matrix cracking stress, and ultimate tensile strength decreased, but the first matrix cracking strain remained nearly the same.

Bhatt, Ramakrishna T.↗

Coherent manipulation of graph states composed of finite-energy Gottesman-Kitaev-Preskill-encoded qubits

Graph states are a central resource in measurement-based quantum information processing. In the photonic qubit architecture based on Gottesman-Kitaev-Preskill (GKP) encoding, the generation of high-fidelity graph states composed of realistic, finite-energy approximate GKP-encoded qubits thus constitutes a key task. We consider the finite-energy approximation of GKP-qubit states given by a coherent superposition of shifted finite-squeezed vacuum states, where the displacements are Gaussian distributed. We present an exact description of graph states composed of such approximate GKP qubits as a coherent superposition of a Gaussian ensemble of randomly displaced ideal GKP-qubit graph states. Using standard Gaussian dynamics, we track the transformation of the covariance matrix and the mean-displacement vector elements of the Gaussian distribution of the ensemble under tools such as GKP-Steane error-correction and fusion operations that can be used to grow large high-fidelity GKP-qubit graph states. The covariance matrix elements capture the noise in the graph state due to the finite-energy approximation of GKP qubits, while the mean displacements relate to the possible absolute shift errors on the individual qubits arising conditionally from the homodyne measurements that are a part of these tools. Our work thus pins down an exact coherent error model for graph states generated from truly finite-energy GKP qubits, which can shed light on their error-correction properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effects of Interface Coating and Nitride Enhancing Additive on Properties of Hi-Nicalon SiC Fiber Reinforced Reaction-Bonded Silicon Nitride Composites

Strong and tough Hi-Nicalon SiC fiber reinforced reaction-bonded silicon nitride matrix composites (SiC/ RBSN) have been fabricated by the fiber lay-up approach. Commercially available uncoated and PBN, PBN/Si-rich PBN, and BN/SiC coated SiC Hi-Nicalon fiber tows were used as reinforcement. The composites contained approximately 24 vol % of aligned 14 micron diameter SiC fibers in a porous RBSN matrix. Both one- and two-dimensional composites were characterized. The effects of interface coating composition, and the nitridation enhancing additive, NiO, on the room temperature physical, tensile, and interfacial shear strength properties of SiC/RBSN matrix composites were evaluated. Results indicate that for all three coated fibers, the thickness of the coatings decreased from the outer periphery to the interior of the tows, and that from 10 to 30 percent of the fibers were not covered with the interface coating. In the uncoated regions, chemical reaction between the NiO additive and the SiC fiber occurs causing degradation of tensile properties of the composites. Among the three interface coating combinations investigated, the BN/SiC coated Hi-Nicalon SiC fiber reinforced RBSN matrix composite showed the least amount of uncoated regions and reasonably uniform interface coating thickness. The matrix cracking stress in SiC/RBSN composites was predicted using a fracture mechanics based crack bridging model.

Bhatt, Ramakrishana T.↗

Matrix Approach to Land Carbon Cycle Modeling

Land ecosystems contribute to climate change mitigation by taking up approximately 30% of anthropogenically emitted carbon. However, estimates of the amount and distribution of carbon uptake across the world's ecosystems or biomes display great uncertainty. The latter hinders a full understanding of the mechanisms and drivers of land carbon uptake, and predictions of the future fate of the land carbon sink. The latter is needed as evidence to inform climate mitigation strategies such as afforestation schemes. To advance land carbon cycle modeling, we have developed a matrix approach. Land carbon cycle models use carbon balance equations to represent carbon exchanges among pools. Our approach organizes this set of equations into a single matrix equation without altering any processes of the original model. The matrix equation enables the development of a theoretical framework for understanding the general, transient behavior of the land carbon cycle. While carbon input and residence time are used to quantify carbon storage capacity at steady state, a third quantity, carbon storage potential, integrates fluxes with time to define dynamic disequilibrium of the carbon cycle under global change. The matrix approach can help address critical contemporary issues in modeling, including pinpointing sources of model uncertainty and accelerating spin-up of land carbon cycle models by tens of times. The accelerated spin-up liberates models from the computational burden that hinders comprehensive parameter sensitivity analysis and assimilation of observational data to improve model accuracy. Such computational efficiency offered by the matrix approach enables substantial improvement of model predictions using ever-increasing data availability. Overall, the matrix approach offers a step change forward for understanding and modeling the land carbon cycle.

54 ENVIRONMENTAL SCIENCES↗

4.2-4.3 AE anorthositic soil fragments - Equilibrated or unequilibrated polycomponent systems

The petrographies and phase chemistries of five lunar crystalline anorthositic fragments with Ar-40/Ar-39 plateau 'ages' ranging from 4.1 to 4.3 AE are reported. An investigation is conducted to determine whether the individual fragments are monomict or polymict breccias. For polymict breccias it is attempted to establish whether clasts and matrix have equilibrated chemically. On the basis of the results of the investigation it is suggested that sample 73263,1,1 was a breccia (possibly a clast-laden melt) containing old clasts, incorporated in an ejecta blanket that was annealed at about 4.1 AE in a transient high-temperature event. The sample 73263,1,6 studied is an annealed anorthositic breccia containing approximately 20% clasts dominated by single-crystal plagioclase fragments. The obtained data are consistent with a two-component system containing old plagioclase clasts in a young (about 4.0 AE) annealed, matrix. The annealing event at approximately 4.0 AE was insufficient to equilibrate the argon. It is found that four of the breccias having ages of about 4.2 AE or more are polymict. The most striking feature of all of the samples studied is the presence of a significant amount of 4.2-4.3 AE argon.

Delano, J. W.↗

K-Shell Photoabsorption and Photoionisation of Trace Elements I. Isoelectronic Sequences With Electron Number 3< or = N < or = 11

Context. With the recent launching of the Hitomi X-ray space observatory, K lines and edges of chemical elements with low cosmic abundances, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn, can be resolved and used to determine important properties of supernova remnants, galaxy clusters and accreting black holes and neutron stars.Aims. The second stage of the present ongoing project involves the computation of the accurate photoabsorption and photoionisation cross sections required to interpret the X-ray spectra of such trace elements.Methods. Depending on target complexity and computer tractability, ground-state cross sections are computed either with the close-coupling Breit-Pauli R-matrix method or with the autostructure atomic structure code in the isolated-resonance approximation. The intermediate-coupling scheme is used whenever possible. In order to determine a realistic K-edge behaviour for each species, both radiative and Auger dampings are taken into account, the latter being included in the R-matrix formalism by means of an optical potential.Results. Photoabsorption and total and partial photoionisation cross sections are reported for isoelectronic sequences with electron numbers 3< or = N< or = 11. The Na sequence (N=11) is used to estimate the contributions from configurations with a 2s hole (i.e. [2s]) and those containing 3d orbitals, which will be crucial when considering sequences with N 11.Conclusions. It is found that the [2s/u] configurations must be included in the target representations of species with N> 11 as they contribute significantly to the monotonic background of the cross section between the L and K edges. Configurations with 3d orbitals are important in rendering an accurate L edge, but they can be practically neglected in the K-edge region.

atomic data / X-rays: general↗

Cytoskeletal filament assembly and the control of cell spreading and function by extracellular matrix

This study was undertaken to analyze how cell binding to extracellular matrix produces changes in cell shape. We focused on the initial process of cell spreading that follows cell attachment to matrix and, thus, cell 'shape' changes are defined here in terms of alterations in projected cell areas, as determined by computerized image analysis. Cell spreading kinetics and changes in microtubule and actin microfilament mass were simultaneously quantitated in hepatocytes plated on different extracellular matrix substrata. The initial rate of cell spreading was highly dependent on the matrix coating density and decreased from 740 microns 2/h to 50 microns 2/h as the coating density was lowered from 1000 to 1 ng/cm2. At approximately 4 to 6 hours after plating, this initial rapid spreading rate slowed and became independent of the matrix density regardless of whether laminin, fibronectin, type I collagen or type IV collagen was used for cell attachment. Analysis of F-actin mass revealed that cell adhesion to extracellular matrix resulted in a 20-fold increase in polymerized actin within 30 minutes after plating, before any significant change in cell shape was observed. This was followed by a phase of actin microfilament disassembly which correlated with the most rapid phase of cell extension and ended at about 6 hours; F-actin mass remained relatively constant during the slow matrix-independent spreading phase. Microtubule mass increased more slowly in spreading cells, peaking at 4 hours, the time at which the transition between rapid and slow spreading rates was observed. However, inhibition of this early rise in microtubule mass using either nocodazole or cycloheximide did not prevent this transition. Use of cytochalasin D revealed that microfilament integrity was absolutely required for hepatocyte spreading whereas interference with microtubule assembly (using nocodazole or taxol) or protein synthesis (using cycloheximide) only partially suppressed cell extension. In contrast, cell spreading could be completely inhibited by combining suboptimal doses of cytochalasin D and nocodazole, suggesting that intact microtubules can stabilize cell form when the microfilament lattice is partially compromised. The physiological relevance of the cytoskeleton and cell shape in hepatocyte physiology was highlighted by the finding that a short exposure (6 hour) of cells to nocodazole resulted in production of smaller cells 42 hours later that exhibited enhanced production of a liver-specific product (albumin). These data demonstrate that spreading and flattening of the entire cell body is not driven directly by net polymerization of either microfilaments or microtubules.(ABSTRACT TRUNCATED AT 400 WORDS).

NASA Discipline Cell Biology↗

Application of Krylov exponential propagation to fluid dynamics equations

This paper presents an application of matrix exponentiation via Krylov subspace projection, to the solution of fluid dynamics problems. The main idea is to approximate the operation exp(A)v by means of a projection-like process onto a Krylov subspace. This results in a computation of an exponential matrix vector product similar to the one above but of a much smaller size. Time integration schemes can then be devised to exploit this basic computational kernel. The motivation of this approach is to provide time-integration schemes that are essentially of an explicit nature but which have good stability properties.

Saad, Y.↗

Distributed out-of-memory NMF on CPU/GPU architectures

We propose an efficient distributed out-of-memory implementation of the non-negative matrix factorization (NMF) algorithm for heterogeneous high-performance-computing systems. The proposed implementation is based on prior work on NMFk, which can perform automatic model selection and extract latent variables and patterns from data. In this work, we extend NMFk by adding support for dense and sparse matrix operation on multi-node, multi-GPU systems. The resulting algorithm is optimized for out-of-memory problems where the memory required to factorize a given matrix is greater than the available GPU memory. Memory complexity is reduced by batching/tiling strategies, and sparse and dense matrix operations are significantly accelerated with GPU cores (or tensor cores when available). Input/output latency associated with batch copies between host and device is hidden using CUDA streams to overlap data transfers and compute asynchronously, and latency associated with collective communications (both intra-node and inter-node) is reduced using optimized NVIDIA Collective Communication Library (NCCL) based communicators. Benchmark results show significant improvement, from 32X to 76x speedup, with the new implementation using GPUs over the CPU-based NMFk. Good weak scaling was demonstrated on up to 4096 multi-GPU cluster nodes with approximately 25,000 GPUs when decomposing a dense 340 Terabyte-size matrix and an 11 Exabyte-size sparse matrix of density 10 -6 .

97 MATHEMATICS AND COMPUTING↗

Use of Taguchi design of experiments to optimize and increase robustness of preliminary designs

The research performed this summer includes the completion of work begun last summer in support of the Air Launched Personnel Launch System parametric study, providing support on the development of the test matrices for the plume experiments in the Plume Model Investigation Team Project, and aiding in the conceptual design of a lunar habitat. After the conclusion of last years Summer Program, the Systems Definition Branch continued with the Air Launched Personnel Launch System (ALPLS) study by running three experiments defined by L27 Orthogonal Arrays. Although the data was evaluated during the academic year, the analysis of variance and the final project review were completed this summer. The Plume Model Investigation Team (PLUMMIT) was formed by the Engineering Directorate to develop a consensus position on plume impingement loads and to validate plume flowfield models. In order to obtain a large number of individual correlated data sets for model validation, a series of plume experiments was planned. A preliminary 'full factorial' test matrix indicated that 73,024 jet firings would be necessary to obtain all of the information requested. As this was approximately 100 times more firings than the scheduled use of Vacuum Chamber A would permit, considerable effort was needed to reduce the test matrix and optimize it with respect to the specific objectives of the program. Part of the First Lunar Outpost Project deals with Lunar Habitat. Requirements for the habitat include radiation protection, a safe haven for occasional solar flare storms, an airlock module as well as consumables to support 34 extra vehicular activities during a 45 day mission. The objective for the proposed work was to collaborate with the Habitat Team on the development and reusability of the Logistics Modules.

Carrasco, Hector R.↗

Elevated temperature properties of aligned ferrous eutectics

Iron base alloys containing aluminum and chromium together with smaller amounts of yttrium and silicon are of interest for high temperature applications. Strengthening an inherently weak but oxidation resistant solid solution matrix with aligned in situ chromium carbides represents an attractive approach to achieving both surface stability and creep resistance at elevated temperatures. Aligned microstructures were produced in alloys of approximately 30 wt % (Cr + Mn), about 3 wt % C and the balance Fe consisting of a gamma matrix and the hexagonal carbide (Cr, Mn, Fe)7C3. The tensile and stress rupture strength to 2000 F of aligned Fe-20 w/t % Cr-10 wt % Mn-3.2 wt % C measured parallel to the carbide reinforcement exceeded those of the strongest iron-nickel superalloys, e.g., CRM-6D developed by Chrysler for automotive turbine application. The cyclic oxidation and sulfidation response of these alloys at elevated temperatures can be markedly improved by aluminum additions.

Lemkey, F. D.↗

Biotic degradation of acetonitrile. Limitations, controls and conversion rates

This document has been prepared to support Washington River Protection Solutions (WRPS) in their evaluation of technologies to remediate organic compounds in the Liquid Effluent Retention Facility (LERF)/Effluent Treatment Facility (ETF) during direct feed low activity waste (DFLAW) operations at Hanford. This report summarizes the results of a review of the available literature describing aerobic and anaerobic biological treatment of acetonitrile and proposes a test matrix to evaluate microbial degradation rates of acetonitrile. Numerous studies describe acetonitrile degradation by pure culture strains of bacteria, fungi, and yeast; however, the purpose of this review was to provide estimations of degradation under conditions that more closely approximate the Liquid Effluent Retention Facility (LERF) basins at the Hanford Site. To this end, documented limitations, controls, and conversion rates are summarized for mixed and natural microbial communities being maintained or operated as a biological treatment for wastewater processing. Based on the literature evaluation, the inherent capacity and rates of microbial degradation of acetonitrile are sufficiently high that if applied in the LERF basins, acetonitrile removal would be achieved. To be clear, though, published studies have not been conducted under conditions that approximate or that could be directly related to the LERF basins. Thus, a focused test matrix the encompasses LERF relevant conditions to specifically measure microbial degradation of acetonitrile is proposed and the results would provide the strong technical justification for use of this low-cost efficient biological process at LERF during DFLAW operations and beyond.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Parallel CFD Algorithms for Aerodynamical Flow Solvers on Unstructured Meshes

The Advisory Group for Aerospace Research and Development (AGARD) has requested my participation in the lecture series entitled Parallel Computing in Computational Fluid Dynamics to be held at the von Karman Institute in Brussels, Belgium on May 15-19, 1995. In addition, a request has been made from the US Coordinator for AGARD at the Pentagon for NASA Ames to hold a repetition of the lecture series on October 16-20, 1995. I have been asked to be a local coordinator for the Ames event. All AGARD lecture series events have attendance limited to NATO allied countries. A brief of the lecture series is provided in the attached enclosure. Specifically, I have been asked to give two lectures of approximately 75 minutes each on the subject of parallel solution techniques for the fluid flow equations on unstructured meshes. The title of my lectures is "Parallel CFD Algorithms for Aerodynamical Flow Solvers on Unstructured Meshes" (Parts I-II). The contents of these lectures will be largely review in nature and will draw upon previously published work in this area. Topics of my lectures will include: (1) Mesh partitioning algorithms. Recursive techniques based on coordinate bisection, Cuthill-McKee level structures, and spectral bisection. (2) Newton's method for large scale CFD problems. Size and complexity estimates for Newton's method, modifications for insuring global convergence. (3) Techniques for constructing the Jacobian matrix. Analytic and numerical techniques for Jacobian matrix-vector products, constructing the transposed matrix, extensions to optimization and homotopy theories. (4) Iterative solution algorithms. Practical experience with GIVIRES and BICG-STAB matrix solvers. (5) Parallel matrix preconditioning. Incomplete Lower-Upper (ILU) factorization, domain-decomposed ILU, approximate Schur complement strategies.

Barth, Timothy J.↗

Solving the $k$-Sparse Eigenvalue Problem with Reinforcement Learning

We examine the possibility of using a reinforcement learning (RL) algorithm to solve large-scale eigenvalue problems in which the desired the eigenvector can be approximated by a sparse vector with at most k nonzero elements, where k is relatively small compare to the dimension of the matrix to be partially diagonalized. Here, this type of problem arises in applications in which the desired eigenvector exhibits localization properties and in large-scale eigenvalue computations in which the amount of computational resource is limited. When the positions of these nonzero elements can be determined, we can obtain the k-sparse approximation to the original problem by computing eigenvalues of a k × k submatrix extracted from k rows and columns of the original matrix. We review a previously developed greedy algorithm for incrementally probing the positions of the nonzero elements in a k-sparse approximate eigenvector and show that the greedy algorithm can be improved by using an RL method to refine the selection of k rows and columns of the original matrix. We describe how to represent states, actions, rewards and policies in an RL algorithm designed to solve the k-sparse eigenvalue problem and demonstrate the effectiveness of the RL algorithm on two examples originating from quantum many-body physics.

97 MATHEMATICS AND COMPUTING↗

Investigation of MMOD Impact on STS-115 Shuttle Payload Bay Door Radiator

The Orbiter radiator system consists of eight individual 4.6 m x 3.2 m panels located with four on each payload bay door. Forward panels #1 and #2 are 2.3 cm thick while the aft panels #3 and #4 have a smaller overall thickness of 1.3 cm. The honeycomb radiator panels consist of 0.028 cm thick Aluminum 2024-T81 facesheets and Al5056-H39 cores. The face-sheets are topped with 0.005 in. (0.127 mm) silver-Teflon tape. The radiators are located on the inside of the shuttle payload bay doors, which are closed during ascent and reentry, limiting damage to the on-orbit portion of the mission. Post-flight inspections at the Kennedy Space Center (KSC) following the STS-115 mission revealed a large micrometeoroid/orbital debris (MMOD) impact near the hinge line on the #4 starboard payload bay door radiator panel. The features of this impact make it the largest ever recorded on an orbiter payload bay door radiator. The general location of the damage site and the adjacent radiator panels can be seen in Figure 2. Initial measurements of the defect indicated that the hole in the facesheet was 0.108 in. (2.74 mm) in diameter. Figure 3 shows an image of the front side damage. Subsequent observations revealed exit damage on the rear facesheet. Impact damage features on the rear facesheet included a 0.03 in. diameter hole (0.76 mm), a approx.0.05 in. tall bulge (approx.1.3 mm), and a larger approx.0.2 in. tall bulge (approx.5.1 mm) that exhibited a crack over 0.27 in. (6.8 mm) long. A large approx.1 in. (25 mm) diameter region of the honeycomb core was also damaged. Refer to Figure 4 for an image of the backside damage to the panel. No damage was found on thermal blankets or payload bay door structure under the radiator panel. Figure 5 shows the front facesheet with the thermal tape removed. Ultrasound examination indicated a maximum facesheet debond extent of approximately 1 in. (25 mm) from the entry hole. X-ray examinations revealed damage to an estimated 31 honeycomb cells with an extent of 0.85 in. x 1.1 in. (21.6 x 27.9 mm). Pieces of the radiator at and surrounding the impact site were recovered during the repair procedures at KSC. They included the thermal tape, front facesheet, honeycomb core, and rear facesheet. These articles were examined at JSC using a scanning electron microscope (SEM) with an energy dispersive x-ray spectrometer (EDS). Figure 6 shows SEM images of the entry hole in the facesheet. The asymmetric height of the lip may be attributed to projectile shape and impact angle. Numerous instances of a glass-fiber organic matrix composite were observed in the facesheet tape sample. The fibers were approximately 10 micrometers in diameter and variable lengths. EDS analysis indicated a composition of Mg, Ca, Al, Si, and O. Figures 7 and 8 present images of the fiber bundles, which were believed to be circuit board material based on similarity in fiber diameter, orientation, consistency, and composition. A test program was initiated in an attempt to simulate the observed damage to the radiator facesheet and honeycomb. Twelve test shots were performed using projectiles cut from a 1.6 mm thick fiberglass circuit board substrate panel. Results from test HITF07017, shown in figures 9 and 10, correlates with the observed impact features reasonably well. The test was performed at 4.14 km/sec with an impact angle of 45 degrees using a cylindrical projectile with a diameter and length of 1.25 mm. The fiberglass circuit board material had a density of 1.65 g/cu cm, giving a projectile mass of 2.53 mg. An analysis was performed using the Bumper code to estimate the probability of impact to the shuttle from a 1.25 mm diameter particle. Table 1 shows a 1.6% chance (impact odds = 1 in 62) of a 1.25 mm or larger MMOD impact on the radiators of the vehicle during a typical ISS mission. There is a 0.4% chance (impact odds = 1 in 260) that a 1.25 mm or larger MMOD particle would impact the RCC wing leading edge and nose cap during a typical miion. Figure 11 illustrates the vulnerable areas of the wing leading edge reinforced carbon-carbon (RCC), an area of the vehicle that is very sensitive to impact damage. The highlighted red, orange, yellow, and light green areas would be expected to experience critical damage if impacted by an OD particle such as the one that hit the RH4 radiator panel on STS-115.

Hyde, J.↗

2-loop scattering on superstring and supermembrane in flat space

We consider the S-matrix of transverse scalar excitations on an infinite D = 10 GS superstring and D = 11 supermembrane in flat target space. We compute the 4-particle scattering amplitude in the 2-loop approximation and demonstrate that, like in the Nambu string case, the D = 10 GS string S-matrix does not contain non-trivial 2d UV divergences (UV pole not accompanied by terms with logarithms of momenta is an artifact of dimensional regularization). This is consistent with underlying integrability of this model which is maintaining by adding appropriate local counterterms. In the supermembrane case there are no 1-loop divergences but we find a genuine 2-loop UV pole. This demonstrates non-finiteness of the world-volume S-matrix of the M2 brane theory.

AdS-CFT Correspondence↗

Mutual information-assisted adaptive variational quantum eigensolver

Adaptive construction of ansatz circuits offers a promising route towards applicable variational quantum eigensolvers on near-term quantum hardware. Those algorithms aim to build up optimal circuits for a certain problem and ansatz circuits are adaptively constructed by selecting and adding entanglers from a predefined pool. In this work, we propose a way to construct entangler pools with reduced size by leveraging classical algorithms. Our method uses mutual information between the qubits in classically approximated ground state to rank and screen the entanglers. The density matrix renormalization group method is employed for classical precomputation in this work. We corroborate our method numerically on small molecules. Our numerical experiments show that a reduced entangler pool with a small portion of the original entangler pool can achieve same numerical accuracy. Here, we believe that our method paves a new way for adaptive construction of ansatz circuits for variational quantum algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗