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At least 271 records · Page 15

Efficient solutions of fermionic systems using artificial neural networks

In this study, we explore the similarities and differences between variational Monte Carlo techniques that employ conventional and artificial neural network representations of the ground-state wave function for fermionic systems. Our primary focus is on shallow neural network architectures, specifically the restricted Boltzmann machine, and we examine unsupervised learning algorithms that are appropriate for modeling complex many-body correlations. We assess the advantages and drawbacks of conventional and neural network wave functions by applying them to a range of circular quantum dot systems. Our findings, which include results for systems containing up to 90 electrons, emphasize the efficient implementation of these methods on both homogeneous and heterogeneous high-performance computing facilities.

97 MATHEMATICS AND COMPUTING↗

Magnetic properties of the quasi-XY Shastry-Sutherland magnet ER 2 Be 2 SiO 7

Polycrystalline and single-crystal samples of the insulating Shastry-Sutherland compound Er 2 ⁢Be 2 ⁢SiO 7 were synthesized via a solid-state reaction and the floating zone method, respectively. The crystal structure, Er single-ion anisotropy, zero-field magnetic ground state, and magnetic phase diagrams along high-symmetry crystallographic directions were investigated with bulk measurement techniques, x-ray and neutron diffraction, and neutron spectroscopy. Here, we establish that Er 2 ⁢Be 2 ⁢SiO 7 crystallizes in a tetragonal space group with planes of orthogonal Er dimers and a strong preference for the Er moments to lie in the local plane perpendicular to each dimer bond. We also find that this system has a noncollinear ordered ground state in zero field with a transition temperature of 0.841 K consisting of antiferromagnetic dimers and in-plane moments. Finally, we mapped out the H-T phase diagrams for Er 2 ⁢Be 2 ⁢SiO 7 along the directions H ∥ [001], [100], and [110]. While an increasing in-plane field simply induces a phase transition to a field-polarized phase, we identify three metamagnetic transitions in the H ∥ [001] case. Single-crystal neutron diffraction results reveal that the H ∥ [001] phase diagram can be explained predominantly by the expected field-induced behavior of classical, anisotropic moments, although the microscopic origin of one phase requires further investigation.

36 MATERIALS SCIENCE↗

Defending the Homeland: Growing Foreign Challenges to the U.S. Missile Defense Posture

The Office of the Secretary of Defense (OSD) for Policy requested that Lawrence Livermore National Laboratory conduct a Congressionally directed study on homeland missile defense, pursuant to Section 1692 of the fiscal year 2020 National Defense Authorization Act. In accordance with the statutory language, this study considers whether the security benefits obtained by deployment of homeland missile defenses of the United States are undermined or counterbalanced by adverse reactions of potential adversaries, and considers the effectiveness of homeland missile defense efforts of the United States to deter the development of ballistic missiles. Almost a half-century has elapsed since the United States and the Soviet Union signed the Anti-Ballistic Missile (ABM) Treaty, and almost two decades since the former withdrew. Since withdrawing, the United States has sought to develop and deploy a layered missile defense system to defend against regional threats to U.S. and allied interests abroad and to counter limited threats to the U.S. homeland. As such, missile defense supports key national defense policy objectives. Protecting the U.S. homeland, forces abroad, allies, and partners. Deterring attacks against the United States, its allies, and partners. Assuring allies an strengthening U.S. diplomatic activities in peacetime and crisis. We offer five key findings: 1. The primary benefit of the Ground-based Midcourse Defense (GMD) system is the protection it provides the U.S. homeland against a limited but evolving rogue-state missile threat. While this system has never been tested in combat, it appears thus far to have effectively paced North Korea’s development and deployment of intercontinental ballistic missiles (ICBMs). In the absence of such a defensive capability, the United States would likely have been more heavily exposed to North Korean actions, would have operated at a much higher-risk posture, and would have had less negotiating room with which to navigate coercive tactics and crises. Its allies would have been more concerned about U.S. willingness in time of crisis and war to run the risks of protecting them. The GMD system also serves as a hedge against Iranian breakout. 2. Potential adversaries continue to develop long-range ballistic missiles despite deployment of a U.S. homeland missile defense system. This includes both rogue states and major power rivals whose long-range missile programs predated the deployment of U.S. missile defenses. While North Korea has continued its long-range missile developments and achieved an intercontinental capability, Iran has not yet reached this threshold. The broader proliferation of long-range missiles anticipated in the late 1990s has not materialized. 3. While Russia has used the existence of a U.S. homeland missile defense system as a justification for its substantial and continuing weapon modernization program, neither Russian force modernization nor the limited U.S. homeland missile defense system has altered the strategic balance. Russia has long considered U.S. missile defenses—both theater and homeland—as directed against its strategic forces and as a capability that could rapidly advance, thereby eroding Russian confidence in its nuclear deterrent. Russia’s political and military actions appear excessive and negatively impact areas such as arms control, but they do not undermine the primary benefit of the U.S. system cited in Key Finding 1. 4. China’s expansion and diversification of nuclear and missile forces has been influenced by its concerns about U.S. homeland missile defense, but those concerns are only one of many factors in China’s force planning. Although China’s actions to preserve and expand its assured retaliation prospects have not fundamentally altered the strategic balance, its buildup and lack of transparency about its force modernization goals are troubling. Taken together, the aggregate pattern of China’s modernization activities over the past two decades strongly suggests a concerted effort to develop a modern military force commensurate with its intended geopolitical status. Whatever China’s legacy concerns over the survivability of its strategic nuclear forces, its ability to overwhelm the GMD system appears intact today and will be further strengthened in the years ahead as it continues its long-term modernization program. China’s political and military actions negatively affect U.S. security interests but do not undermine the primary benefit of the U.S. system cited in Key Finding 1. 5. The basic finding that benefits have not so far been undermined by adverse reactions is a function of circumstances that are increasingly in flux. The existing GMD-centered system is under increasing pressure from the pace and scope of North Korean missile deployments. The proposed “layered” system seeks to mitigate this impending capability gap in the near term and to complement future capabilities, such as the Next Generation Interceptor, when they come online. Given the pace of U.S. missile defense developments since 2000, it is possible that adversary advances in capability will outpace the U.S. system’s ability to adapt. Additionally, because this layered system is in principle more readily scaled, it will almost certainly be viewed skeptically by China and Russia. In a context of growing great-power security competition, the Department of Defense (DoD) should consider undertaking a broader net assessment of the U.S., Russian, and Chinese force balance.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Light storage, retrieval, and controllable interference in an atomic tripod system

Highly efficient quantum memories are essential for advancing quantum information processing technologies, including scalable quantum computing and quantum networks. We experimentally demonstrate a light storage and retrieval protocol in a tripod system using an ensemble of laser-cooled 87 Rb atoms. The tripod system, which consists of three ground states and an excited state, offers rich dynamics: its use to coherently store and retrieve a weak probe pulse in the 87 Rb 𝐹 = 1 ground-state manifold leads to the interference of two spin-wave excitations during storage time that translate to an interference in the peak intensity of the retrieved probe pulse. Our work shows that these interferences, which manifest when varying the pulse sequence or energy level structure, can be controlled experimentally by varying the storage time, optical phase, and magnetic field strength. Theoretical simulations exhibit excellent agreement with the experimental results. In conclusion, this work demonstrates the rich dynamics and versatile capabilities of atomic tripod systems for light storage and retrieval, with key advantages over conventional Λ systems, highlighting the potential of atomic tripod systems for applications in quantum information processing, quantum synchronization, and atomic memory protocols.

Coherent control↗

How Well Does Kohn–Sham Regularizer Work for Weakly Correlated Systems?

Kohn–Sham regularizer (KSR) is a differentiable machine learning approach to finding the exchange-correlation functional in Kohn–Sham density functional theory that works for strongly correlated systems. Here we test KSR for a weak correlation. We propose spin-adapted KSR (sKSR) with trainable local, semilocal, and nonlocal approximations found by minimizing density and total energy loss. We assess the atoms-to-molecules generalizability by training on one-dimensional (1D) H, He, Li, Be, and Be 2+ and testing on 1D hydrogen chains, LiH, BeH 2 , and helium hydride complexes. The generalization error from our semilocal approximation is comparable to other differentiable approaches, but our nonlocal functional outperforms any existing machine learning functionals, predicting ground-state energies of test systems with a mean absolute error of 2.7 mH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Northwest Combined Heat and Power Technical Assistance Partnership: Final Scientific/Technical Report

During the years of 2018 through 2023, The Washington State University Energy Program (WSU EP) operated the Northwest Combined Heat and Power Technical Assistance Partnership under contract to the US Department of Energy’s Advanced Manufacturing Office (AMO), a part of DOE’s larger Office of Energy Efficiency and Renewable Energy. This contract provided direction and funding for providing technical outreach, information and technical/economic analysis services in support of expanding development of Combined Heat and Power (CHP) over a four state region in the Pacific Northwest. The states served included Alaska, Idaho, Oregon and Washington. During the duration of this contract, the WSU EP delivered performed specific assigned tasks and provided services of various generally prescribed types, with the overall goal of increasing adoption of CHP as an efficient heat and power supply in the region. Indications – though not formally evaluated to our knowledge – are that this goal was achieved. Over many years, the WSU team has provided support for CHP developments in these states under similar previous Department of Energy contracts, and many such projects have been built. While the early-phase outreach, education and techno-economic assessments that the NW CHP TAP provides rarely immediately result in project construction, there is no doubt that the WSU EP team has had substantial influence in the construction of a number of important CHP projects in the region. Examples of projects implemented directly under the current team’s guidance and services during this contract cycle include an 875 kilowatt biomass fueled CHP system installed at the University of Idaho, and 5 megawatt natural gas fueled CHP system at the University of Montana ( UM Breaks Ground on New Power Facility, Slashes Emissions 30% (umt.edu) ). Many other CHP systems recently installed are also either directly or at least partially the result of information and technical services provided by the team. Finally, though much more difficult to quantify and less glamorous, the team has helped countless organizations to understand CHP and determine whether and how CHP may be a fit for them, before they consider paying for engineering services. Whether the ultimate outcome has been to include CHP or not, the expert skills provided by the NW CHP TAP team have provided real value to these organizations considering this relatively complex technology. Over the duration of the contract our team provided 71 Initial Technical Assessments and 17 Advanced Technical Assessments; 53 End-User Engagements and 33 Stakeholder Engagements of various types; 42 Technical Profiles (Project Profiles, Program Profiles and Policy Profiles), and produced 14 technical articles for the Department of Energy. Unfortunately, these quantities provide no measure of the value that the team has provided. Only our clients can judge that, and we are confident that they are pleased with the benefits we have offered them.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Fock-Space Schrieffer–Wolff Transformation: Classically-Assisted Rank-Reduced Quantum Phase Estimation Algorithm

We present an extension of many-body downfolding methods to reduce the resources required in the quantum phase estimation (QPE) algorithm. In this paper, we focus on the Schrieffer–Wolff (SW) transformation of the electronic Hamiltonians for molecular systems that provides significant simplifications of quantum circuits for simulations of quantum dynamics. We demonstrate that by employing Fock-space variants of the SW transformation (or rank-reducing similarity transformations (RRST)) one can significantly increase the locality of the qubit-mapped similarity-transformed Hamiltonians. The practical utilization of the SW-RRST formalism is associated with a series of approximations discussed in the manuscript. In particular, amplitudes that define RRST can be evaluated using conventional computers and then encoded on quantum computers. The SW-RRST QPE quantum algorithms can also be viewed as an extension of the standard state-specific coupled-cluster downfolding methods to provide a robust alternative to the traditional QPE algorithms to identify the ground and excited states for systems with various numbers of electrons using the same Fock-space representations of the downfolded Hamiltonian. The RRST formalism serves as a design principle for developing new classes of approximate schemes that reduce the complexity of quantum circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nature of Excitons and Their Ligand-Mediated Delocalization in Nickel Dihalide Charge-Transfer Insulators

The fundamental optical excitations of correlated transition-metal compounds are typically identified with multielectronic transitions localized at the transition-metal site, such as d d transitions. In this vein, intense interest has surrounded the appearance of sharp, below-band-gap optical transitions, i.e., excitons, within the magnetic phase of correlated Ni 2 + van der Waals magnets. The interplay of magnetic and charge-transfer insulating ground states in Ni 2 + systems raises intriguing questions on the roles of long-range magnetic order and of metal-ligand charge transfer in the exciton nature, which inspired microscopic descriptions beyond typical d d excitations. Here we study the impact of charge transfer and magnetic order on the excitation spectrum of the nickel dihalides ( Ni X 2 , X = Cl , Br, and I) using Ni- L 3 edge resonant inelastic x-ray scattering (RIXS). In all compounds, we detect sharp excitations, analogous to the recently reported excitons, and assign them to spin-singlet multiplets of octahedrally coordinated Ni 2 + stabilized by intra-atomic Hund’s exchange. Additionally, we demonstrate that these excitons are dispersive using momentum-resolved RIXS. Our data evidence a ligand-mediated multiplet dispersion, which is tuned by the charge-transfer gap and independent of the presence of long-range magnetic order. This reveals the mechanisms governing nonlocal interactions of on-site d d excitations with the surrounding crystal or magnetic structure, in analogy to ground-state superexchange. These measurements thus establish the roles of magnetic order, self-doped ligand holes, and intersite-coupling mechanisms for the properties of d d excitations in charge-transfer insulators. Published by the American Physical Society 2024

2-dimensional systems↗

Development of a Miniaturized Mobile Mapping System for In-Row, Under-Canopy Phenotyping

This paper focuses on the development of a miniaturized mobile mapping platform with advantages over current agricultural phenotyping systems in terms of acquiring data that facilitate under-canopy plant trait extraction. The system is based on an unmanned ground vehicle (UGV) for in-row, under-canopy data acquisition to deliver accurately georeferenced 2D and 3D products. The paper addresses three main aspects pertaining to the UGV development: (a) architecture of the UGV mobile mapping system (MMS), (b) quality assessment of acquired data in terms of georeferencing information as well as derived 3D point cloud, and (c) ability to derive phenotypic plant traits using data acquired by the UGV MMS. The experimental results from this study demonstrate the ability of the UGV MMS to acquire dense and accurate data over agricultural fields that would facilitate highly accurate plant phenotyping (better than above-canopy platforms such as unmanned aerial systems and high-clearance tractors). Plant centers and plant count with an accuracy in the 90% range have been achieved.

54 ENVIRONMENTAL SCIENCES↗

Microbial sensor system for the assessment of subsurface environments

A microbial sensor, system, and method that can be used to determine a chemical environment and/or substrate concentrations in anaerobic or aerobic environments, such as soils, sediments and ground waters, are disclosed. An exemplary system uses one or more (e.g., inert) measurement electrodes and a reference electrode. The reference electrode can include an electrode exposed to atmospheric oxygen (e.g., a cathode) or an electrode exposed to stable anaerobic or aerobic conditions. The exemplary microbial sensor system measures open-circuit voltage to characterize the chemical (oxidizing or reducing) environment and/or recovery voltage to measure substrate concentrations in the subsurface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microbial sensor system for the assessment of subsurface environments

A microbial sensor, system, and method that can be used to determine a chemical environment and/or substrate concentrations in anaerobic or aerobic environments, such as soils, sediments and ground waters, are disclosed. An exemplary system uses one or more (e.g., inert) measurement electrodes and a reference electrode. The reference electrode can include an electrode exposed to atmospheric oxygen (e.g., a cathode) or an electrode exposed to stable anaerobic or aerobic conditions. The exemplary microbial sensor system measures open-circuit voltage to characterize the chemical (oxidizing or reducing) environment and/or recovery voltage to measure substrate concentrations in the subsurface.

Burge, Scott R.↗

Detecting fractionalization in critical spin liquids using color centers

Quantum spin liquids are highly entangled ground states of insulating spin systems, in which magnetic ordering is prevented down to the lowest temperatures due to quantum fluctuations. One of the most extraordinary characteristics of quantum spin liquid phases is their ability to support fractionalized, low-energy quasiparticles known as spinons, which carry spin-1/2 but bear no charge. Relaxometry based on color centers in crystalline materials—of which nitrogen-vacancy (NV) centers in diamond are a well-explored example—provides an exciting new platform to probe the spin spectral functions of magnetic materials with both energy and momentum resolution and to search for signatures of these elusive, fractionalized excitations. In this work, we theoretically investigate the color-center relaxometry of two archetypal quantum spin liquids: the two-dimensional U(1) quantum spin liquid with a spinon Fermi surface and the spin-1/2 antiferromagnetic spin chain. The former is characterized by a metallic, spin-split ground state of mobile, interacting spinons, which closely resembles a spin-polarized Fermi liquid ground state but with neutral quasiparticles. We show that the observation of the Stoner continuum and the collective spin wave mode in the spin spectral function would provide a strong evidence for the existence of spinons and fractionalization. In one dimension, mobile spinons form a Luttinger liquid ground state. We show that the spin spectral function exhibits strong features representing the collective density and spin-wave modes, which are broadened in an algebraic fashion with an exponent characterized by the Luttinger parameter. The possibilities of measuring these collective modes and detecting the power-law decay of the spectral weight using NV relaxometry are discussed. We also examine how the transition rates are modified by marginally irrelevant operators in the Heisenberg limit. Published by the American Physical Society 2024

Takei, So (ORCID:0000000191771895)↗

On the theory of nonhomogeneous nonequilibrium superconductivity in 2D systems with massless fermions

Here we analyze static and nonequilibrium superconducting properties of a 2D relativistic-like model system with local electron-electron interaction, Rashba spin-orbit interaction αR in presence of time-dependent in-plane magnetic field H(t). It is shown that similar to the 2D case with ordinary massive quasiparticle dispersion ε(k)~|k| 2 at large fields, such a system demonstrates a nonhomogeneous superconducting stripe phase with the order parameter Δ(r)=Δ(0)cos(2[μ B B×r]n/$\hbarυ_F$) (B is the magnetic induction, υF is the Fermi velocity, n is the normal to the plane, μ B is the Bohr magneton, and αR$\ll$υF) where the stripes are oriented along the B direction. In the considered system, the inter-stripe period L and the magnitude of the magnetic field B are related by a universal relation BL=$\hbarυ_F$/μ B ≃0.714∙10 -4 Tm. Contrary to the case of massive quasiparticles, where the condition α R ~υ F can be, in principle, satisfied by increasing α R or by charge doping (Fermi velocity decreasing), in a relativistic-like system, where υF is doping-independent and one-two orders of magnitude larger than typical Fermi velocity in the “standard” 2D systems, the stripe phase can be the ground state at a rather low doping level. We also analyzed the nonequilibrium properties of the system with a focus on the melting of the stripe order (when the magnetic field is quenched to a lower value) and stripe dynamics (when the field is rotated by 90° degrees) and found several notable results. In particular, it was shown that the stripe domains melt according to law R~1$\sqrt{t}$ at initial times, while at longer times they shrink exponentially. In the case of the flipped magnetic field, the stripe orientation gradually turns from x- to y-direction, and the intermediate “crossed-stripe” phase takes place during times of order of picoseconds. Such a crossed phase is built of periodic superconducting bubbles that potentially may have applications in modern ultrafast superconducting technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Crystallizing Kagome Artificial Spin Ice

Artificial spin ices are engineered arrays of dipolarly coupled nanobar magnets. They enable direct investigations of fascinating collective phenomena from their diverse microstates. However, experimental access to ground states in the geometrically frustrated systems has proven difficult, limiting studies and applications of novel properties and functionalities from the low energy states. In this work, we introduce a convenient approach to control the competing diploar interactions between the neighboring nanomagnets, allowing us to tailor the vertex degeneracy of the ground states. We achieve this by tuning the length of selected nanobar magnets in the spin ice lattice. We demonstrate the effectiveness of our method by realizing multiple low energy microstates in a kagome artificial spin ice, particularly the hardly accessible long range ordered ground state—the spin crystal state. Our strategy can be directly applied to other artificial spin systems to achieve exotic phases and explore new emergent collective behaviors.

36 MATERIALS SCIENCE↗

Assessing Ground State Energy of Molecules and Energy Profile of the NH3 Capturing CO2 System Using the Quantum Computing Algorithms

Molecule size correlates with the number of electrons on electronic energies and strength of anharmonicity on vibrational properties, however, it is challenging to address using classical computing. In this study, variational quantum eigensolver (VQE) algorithm was implemented on a quantum simulator to quantify electronic and vibrational energies and reaction pathways of CO2 + NH3 = NH2COOH. The VQE-based Hartree-Fock-Embedding algorithm was adopted to benchmark electronic energies for a series of molecules (doi.org/10.1063/5.0188249) and quantify the reaction energy profile of the CO2 capture reaction (doi.org/10.1116/5.0137750). The generated reaction profile is in good agreement with the classical high-level Coupled-Cluster-Singles-and-Doubles (CCSD) results. The quantum computing algorithm also helps enhance the calculation of vibrational ground-state energies by considering the many-body coupling using the Vibrational Self-Consistent Field method, providing results for CO2 and NH3 molecules with accuracy comparable to the direct diagonalization method. Our approach indicates quantum computing can be applied to solve practical problems.

Lee, Yueh-Lin↗

Multiple RGB ortho-mosaics and digital surface models in 2017 and 2018 across the Lower Montane site in the East River Watershed, Colorado

Aerial imagery was collected at the Lower Montane site (Pumphouse) in the East River Watershed, Colorado during the spring, summer, and fall seasons of 2017 and 2018 to improve the understanding of seasonal vegetation dynamics and their drivers. The datasets include Red-Green-Blue (RGB) ortho-mosaics and digital surface models (DSMs) inferred from the Unoccupied Aerial System (UAS) acquired aerial RGB imagery for June 3, June 19, July 7, and August 14, 2017, and for March 14, April 26, June 1, June 18, July 6, and August 7, 2018. Real-Time Kinematic Global Positioning System (RTK-GPS) surveyed Ground control points (GCPs) were used to increase the reconstruction accuracy. The reconstructed RGB mosaics and DSMs have been trimmed to cover a similar spatial domain. The accuracy of the RGB mosaics is considered high (~10 cm). DSM accuracy is highest (~10 cm) where sufficient GCPS are available, and more difficult to assess elsewhere (see reconstruction reports for uncertainty estimates). The dataset includes a total of 20 GeoTIFF (.tif) files, 10 PDF (.pdf) files, 3 data CSV (.csv) files, and 2 metadata CSV (.csv) files. Feel free to contact the authors with any questions or collaboration interests.This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗

Electronic structure prediction of multi-million atom systems through uncertainty quantification enabled transfer learning

The ground state electron density — obtainable using Kohn-Sham Density Functional Theory (KS-DFT) simulations — contains a wealth of material information, making its prediction via machine learning (ML) models attractive. However, the computational expense of KS-DFT scales cubically with system size which tends to stymie training data generation, making it difficult to develop quantifiably accurate ML models that are applicable across many scales and system configurations. Here, we address this fundamental challenge by employing transfer learning to leverage the multi-scale nature of the training data, while comprehensively sampling system configurations using thermalization. Our ML models are less reliant on heuristics, and being based on Bayesian neural networks, enable uncertainty quantification. We show that our models incur significantly lower data generation costs while allowing confident — and when verifiable, accurate — predictions for a wide variety of bulk systems well beyond training, including systems with defects, different alloy compositions, and at multi-million-atom scales. Moreover, such predictions can be carried out using only modest computational resources.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum simulations in effective model spaces: Hamiltonian-learning variational quantum eigensolver using digital quantum computers and application to the Lipkin-Meshkov-Glick model

Quantum simulations offer the potential to predict the structure and dynamics of nuclear many-body systems that are beyond the capabilities of classical computing. Generally, preparing the ground state of strongly-interacting many-body systems relevant to nuclear physics is however inefficient, even using ideal quantum computers. In addition, currently available NISQ-era quantum devices possess modest numbers of qubits, limiting the size of quantum many-body systems that can be simulated. In this context, a reformulation of the quantum many-body problems using truncated model spaces and Hamiltonians is desirable to make them more amenable to near-term quantum computers. The importance of symmetries in low-energy theories, including effective field theories (EFTs), lattice quantum chromodynamics (QCD), and effective model spaces for nuclear systems, in particular their interplay with the reduction of active Hilbert spaces, is well known. Lesser known is the fact that the non-commutivity of some symmetries and truncations of the model space can be profitably combined with variational calculations to rearrange the entanglement into localized structures and enable more efficient simulations. Here, the goal of the present study is to explore and utilize the non-commutivity of symmetries and model-space truncations of quantum many-body systems important to nuclear physics, particularly in combination with variational algorithms for quantum simulations and effective Hamiltonian learning. We introduce an iterative hybrid classical-quantum algorithm, Hamiltonian learning variational quantum eigensolver (HL-VQE), that simultaneously optimizes an effective Hamiltonian, thereby rearranging entanglement into the effective model space, and the associated ground-state wavefunction. Quantum simulations, using classical computers and IBM's superconducting-qubit quantum computers, are performed to demonstrate the HL-VQE algorithm, in the context of the Lipkin-Meshkov-Glick (LMG) model of interacting fermions, where the Hamiltonian transformation corresponds to an orbital rotation. We use a mapping where the number of qubits scales with the $\log$ of the size of the effective model space, rather than the particle number. HL-VQE is found to provide an exponential improvement in LMG-model calculations of the ground-state energy and wavefunction, compared to naive truncations without Hamiltonian learning, throughout a significant fraction of the Hilbert space. In the context of EFT, this corresponds to counterterms scaling exponentially with the cut-off as opposed to power law. Implementations on IBM's QExperience quantum computers and simulators for 1- and 2-qubit effective model spaces are shown to provide accurate and precise results, reproducing classical predictions. For a range of parameters defining the LMG model, the HL-VQE algorithm is found to have better scaling of quantum resources requirements than previously explored algorithms. In particular, the HL-VQE scales efficiently over a large fraction of the model space, in contrast to VQE alone. This work constitutes a step in the development of entanglement-driven quantum algorithms for descriptions of nuclear many-body systems. This, in part, leverages the potential of noisy intermediate-scale quantum (NISQ) devices. The exponential scaling of counterterms observed in this study suggests the possibility of more general applicability to other non-perturbative EFTs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗