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DOE OSTI2024

Dynamical Correlations and Order in Magic-Angle Twisted Bilayer Graphene

The interplay of dynamical correlations and electronic ordering is pivotal in shaping phase diagrams of correlated quantum materials. In magic-angle twisted bilayer graphene, transport, thermodynamic, and spectroscopic experiments pinpoint a competition between distinct low-energy states with and without electronic order, as well as between localized and delocalized charge carriers. In this study, we utilize dynamical mean-field theory on the topological heavy fermion model of twisted bilayer graphene to investigate the emergence of electronic correlations and long-range order in the absence of strain. We contrast moment formation, Kondo screening, and ordering on a temperature basis and explain the nature of emergent correlated states based on three central phenomena: (i) the formation of local spin and valley isospin moments around 100 K, (ii) the ordering of the local isospin moments around 10 K preempting Kondo screening, and (iii) a cascadic redistribution of charge between localized and delocalized electronic states upon doping. At integer fillings, we find that low-energy spectral weight is depleted in the symmetric phase, while we find insulating states with gaps enhanced by exchange coupling in the zero-strain ordered phases. Doping away from integer filling results in distinct metallic states: a “bad metal” above the ordering temperature, where scattering off the disordered local moments suppresses electronic coherence, and a “good metal” in the ordered states with coherence of quasiparticles facilitated by isospin order. This finding reveals coherence from order as the microscopic mechanism behind the Pomeranchuk effect observed experimentally by Rozen [] and by Saito []. Upon doping, there is a periodic charge reshuffling between localized and delocalized electronic orbitals leading to cascades of doping-induced Lifshitz transitions, local spectral weight redistributions, and periodic variations of the electronic compressibility ranging from nearly incompressible to negative. Our findings highlight the essential role of charge transfer, hybridization, and ordering in shaping the electronic excitations and thermodynamic properties in twisted bilayer graphene and provide a unified understanding of the most puzzling aspects of scanning tunneling spectroscopy, transport, and compressibility experiments. Published by the American Physical Society 2024

Physics↗

DOE OSTI2025

Single-Crystal Diffuse Neutron Scattering Study of the Dipole-Octupole Quantum Spin-Ice Candidate Ce 2⁢ Zr 2 ⁢O 7 : No Apparent Octupolar Correlations Above 𝑇 = 0.05 K

The insulating magnetic pyrochlore Ce 2 ⁢Zr 2 ⁢O 7 has gained attention as a quantum spin-ice candidate with dipole-octupole character that arises from the crystal-electric-field ground-state doublet for the Ce 3+ Kramers ion. This dipole-octupole character permits both spin-ice phases based on magnetic dipoles and those based on more-exotic octupoles. This work reports low-temperature neutron diffraction measurements on single-crystal Ce 2 ⁢Zr 2⁢ O 7 with 𝑄 coverage both at low 𝑄, where the magnetic form factor for dipoles is near maximal, and at high 𝑄, covering the region where the magnetic form factor for Ce 3+ octupoles is near maximal. This study was motivated by recent powder neutron diffraction studies of other Ce-based dipole-octupole pyrochlores, Ce 2 ⁢Sn 2 ⁢O 7 and Ce 2 ⁢Hf 2 ⁢O 7 , which each showed temperature-dependent diffuse diffraction at high 𝑄, interpreted as arising from octupolar correlations. Our measurements use an optimized single-crystal diffuse scattering instrument that allows us to screen against strong Bragg scattering from Ce 2 ⁢Zr 2 ⁢O 7 . The temperature-difference neutron diffraction reveals a low-𝑄 peak consistent with dipolar spin-ice correlations reported in previous work, and an alternation between positive and negative net intensity at higher 𝑄. These features are consistent with our numerical-linked-cluster calculations using pseudospin interaction parameters previously reported for Ce 2 ⁢Zr 2⁢ O 7 , Ce 2 ⁢Sn 2 ⁢O 7 , and Ce 2 ⁢Hf 2 ⁢O 7 . Importantly, neither the measured data nor any of the NLC calculations show evidence for increased scattering at high 𝑄 resulting from octupolar correlations. We conclude that at the lowest attainable temperature for our measurements (𝑇 = 0.05 K), scattering from octupolar correlations in Ce 2 ⁢Zr 2 ⁢O 7 is not present in the neutron diffraction signal on the level of our observation threshold of around 0.1% of the low-𝑄 dipole scattering. We compare these results to those obtained earlier on powder Ce 2 ⁢Sn 2 ⁢O 7 and Ce 2⁢ Hf 2⁢ O 7 , and to low-energy inelastic neutron scattering from single-crystal Ce 2 ⁢Zr 2 ⁢O 7 .

36 MATERIALS SCIENCE↗

DOE OSTI2025

Emulation of quantum correlations by classical dynamics in a spin-$\frac{1}{2}$ Heisenberg chain

We simulate the dynamical spin structure factor (DSSF) 𝒮⁡(𝑞,𝜔) of the spin-1/2 Heisenberg antiferromagnetic chain using classical simulations. By employing Landau-Lifshitz Dynamics, we emulate quantum correlations through temperature-dependent corrections, including rescaling of magnetic dipoles and renormalization of exchange interactions. Here, our results closely match Quantum Monte-Carlo calculations for 𝑘 B⁢ 𝑇/𝐽≳1, extending the applicability of classical dynamics to the challenging case of gapless excitations. At higher temperatures, our simulations comply with general predictions for uncorrelated paramagnetic fluctuations in the infinite temperature limit. Entanglement witnesses derived from the quantum-equivalent DSSF act as sensitive diagnostics for the quantum-to-classical crossover. Their reliability stems from their dependence on spectral features alone, enabling classical dynamics to emulate quantum thresholds without genuine entanglement. This framework also reproduces transverse spin correlations in finite magnetic fields, in agreement with quantum simulations. Together, our results establish quantum-corrected classical dynamics as a scalable and predictive tool for interpreting scattering experiments and exploring quantum correlations in strongly correlated spin systems.

Inelastic neutron scattering↗

DOE OSTI2024

RADEMACHER COMPLEXITY REGULARIZATION FOR CORRELATION-BASED MULTIVIEW REPRESENTATION LEARNING

Deep correlation-based multiview representation learning techniques have become increasingly popular methods for extracting highly correlated representations from multiview data. However, their ability to find highly complex mappings between the views can also lead to overfitting and overly correlated representations. In this work, we propose a regularizer for this specific problem, based on the Rademacher complexity of the DNNs, tailored for multiview correlation maximization. We demonstrate that the proposed regularization leads to less noisy representations in synthetic data and improved performance of downstream tasks in real-world multiview datasets.

Kuschel, Maurice↗

DOE OSTI2025

MIC-DP: A Scalable Correlation-Aware Differential Privacy Framework for High-Dimensional Data

Conventional differential privacy (DP) assumes record independence, limiting effectiveness on real-world datasets with temporal, spatial, or structural correlations. These dependencies undermine privacy guarantees and degrade utility in domains like healthcare, IoT, and smart city analytics. We propose Maximum Information Correlated Differential Privacy (MIC-DP), a novel framework that dynamically calibrates noise based on statistical dependencies. MIC-DP uses the Maximum Information Coefficient (MIC) to capture both linear and nonlinear correlations without explicit modeling, enabling adaptive sensitivity adjustment and improved privacy–utility trade-offs. Evaluations on healthcare (MIMIC), demographic (ACI), and synthetic datasets show that MIC-DP reduces mean absolute error (MAE) by up to 5.2% under strict privacy budgets (ϵ≤1), with aggregate utility improvements reaching 18% across datasets and evaluation metrics. MIC-DP provides formal (ϵ,δ)-privacy guarantees, scales efficiently with feature count, and supports deployment in moderate-scale, privacy-sensitive applications. Its tunable performance and runtime efficiency make MIC-DP suitable for privacy-sensitive applications where low-latency analytics and strong privacy guarantees must coexist. These results demonstrate MIC-DP’s effectiveness as a correlation-aware solution for practical DP.

Yang, Wenjun [Univ. of Washington, Tacoma, WA (Uni↗

DOE OSTI2022

Investigating charm production and fragmentation via azimuthal correlations of prompt D mesons with charged particles in pp collisions at $\mathbf {\sqrt{ s} = 13}$ TeV

Angular correlations of heavy-flavour and charged particles in high-energy proton–proton collisions are sensitive to the production mechanisms of heavy quarks and to their fragmentation as well as hadronisation processes. The measurement of the azimuthal-correlation function of prompt D mesons with charged particles in proton–proton collisions at a centre-of-mass energy of $\sqrt{s} = 13$ TeV with the ALICE detector is reported, considering $\mathrm D^{0} $ , $\mathrm D^{+} $ , and $\mathrm D^{*+} $ mesons in the transverse-momentum interval $3< p_{\mathrm{T}} < 36$ GeV/ $c$ at midrapidity ( $|y| < 0.5$ ), and charged particles with $p_{\mathrm{T}} > 0.3$ GeV/ $c$ and pseudorapidity $|\eta | < 0.8$ . This measurement has an improved precision and provides an extended transverse-momentum coverage compared to previous ALICE measurements at lower energies. The study is also performed as a function of the charged-particle multiplicity, showing no modifications of the correlation function with multiplicity within uncertainties. The properties and the transverse-momentum evolution of the near- and away-side correlation peaks are studied and compared with predictions from various Monte Carlo event generators. Among those considered, PYTHIA8 and POWHEG+PYTHIA8 provide the best description of the measured observables. The obtained results can provide guidance on tuning the generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Constraining the $\overline{K}$N coupled channel dynamics using femtoscopic correlations at the LHC

The interaction of K – with protons is characterised by the presence of several coupled channels, systems like $\overline{K}$ 0 n and πΣ with a similar mass and the same quantum numbers as the K – p state. The strengths of these couplings to the K – p system are of crucial importance for the understanding of the nature of the Λ(1405) resonance and of the attractive K – p strong interaction. In this article, we present measurements of the K – p correlation functions in relative momentum space obtained in pp collisions at $\sqrt{s}$=13 Te, in p–Pb collisions at $\sqrt{s_{NN}}$= 5.02 Te, and (semi)peripheral Pb–Pb collisions at $\sqrt{s_{NN}}$= 5.02 Te. The emitting source size, composed of a core radius anchored to the K + p correlation and of a resonance halo specific to each particle pair, varies between 1 and 2 fm in these collision systems. The strength and the effects of the $\overline{K}$ 0 n and πΣ inelastic channels on the measured K – p correlation function are investigated in the different colliding systems by comparing the data with state-of-the-art models of chiral potentials. A novel approach to determine the conversion weights ω, necessary to quantify the amount of produced inelastic channels in the correlation function, is presented. In this method, particle yields are estimated from thermal model predictions, and their kinematic distribution from blast-wave fits to measured data. The comparison of chiral potentials to the measured K – p interaction indicates that, while the πΣ –K – p dynamics is well reproduced by the model, the coupling to the $\overline{K}$ 0 n channel in the model is currently underestimated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

MemHC: An Optimized GPU Memory Management Framework for Accelerating Many-body Correlation

The many-body correlation function is a fundamental computation kernel in modern physics computing applications, e.g., Hadron Contractions in Lattice quantum chromodynamics (QCD). This kernel is both computation and memory intensive, involving a series of tensor contractions, and thus usually runs on accelerators like GPUs. Existing optimizations on many-body correlation mainly focus on individual tensor contractions (e.g., cuBLAS libraries and others). In contrast, this work discovers a new optimization dimension for many-body correlation by exploring the optimization opportunities among tensor contractions. More specifically, it targets general GPU architectures (both NVIDIA and AMD) and optimizes many-body correlation’s memory management by exploiting a set of memory allocation and communication redundancy elimination opportunities: first, GPU memory allocation redundancy: the intermediate output frequently occurs as input in the subsequent calculations; second, CPU-GPU communication redundancy: although all tensors are allocated on both CPU and GPU, many of them are used (and reused) on the GPU side only, and thus, many CPU/GPU communications (like that in existing Unified Memory designs) are unnecessary; third, GPU oversubscription: limited GPU memory size causes oversubscription issues, and existing memory management usually results in near-reuse data eviction, thus incurring extra CPU/GPU memory communications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Graph Contractions for Calculating Correlation Functions in Lattice QCD

Computing correlation functions for many-particle systems in Lattice QCD is vital to extract nuclear physics observables like the energy spectrum of hadrons such as protons. However, this type of calculation has long been considered to be very challenging and computing-resource intensive because of the complex nature of a hadron composed of quarks with many degrees of freedom. In particular, a correlation function can be calculated through a sum of all possible pairs of quark contractions, each of which is a batched tensor contraction, dictated by Wick's theorem. Because the number of terms of this sum can be very large for any hadronic system of interest, fast evaluation of the sum faces several challenges: an extremely large number of contractions, a huge memory footprint at runtime, and the speed of tensor contractions. In this paper, we present a Lattice QCD analysis software suite, Redstar, which addresses these challenges by utilizing novel algorithmic and software engineering methods targeting modern computing platforms such as many-core CPUs and GPUs. In particular, Redstar represents every term in the sum of a correlation function by a graph, applies efficient graph algorithms to reduce the number of contractions to lower the cost of computations, and minimizes the total memory footprint. Moreover, Redstar carries out the contractions on either CPUs or GPUs utilizing an internal and highly efficient Hadron contraction library. Specifically, we illustrate some important algorithmic optimizations of Redstar, show various key design features of Hadron library, and present the speedup values due to the optimizations along with performance figures for calculating six correlations functions on four computing platforms.

Chen, Jie↗

DOE OSTI2022

Correlations between Texture Profile Analysis and Sensory Evaluation of Cured Largemouth Bass Meat (Micropterus salmoides)

Texture is an important factor in evaluating the quality of aquatic products. To evaluate the texture properties of cured large mouth bass, edible sodium chloride (0, 1.0, 2.0, and 3.0%) was smeared to the bass meat. Texture profile analysis (TPA) and sensory evaluation were performed to evaluate the quality of the cured samples, and the correlations of the indexes in the two methods were analyzed. Two principal components were obtained from the TPA indexes and sensory evaluation indexes, and the cumulative variance contribution rates were 73.87% and 72.99%, respectively. Results from the principal component analysis showed that the main indicators that affected the TPA were gumminess and springiness, while those that affected sensory evaluation were chewiness and adhesiveness. The TPA index and sensory evaluation could be effectively improved when the sodium chloride added to the bass meat was 1%. In the correlation analysis, sensory springiness was negatively correlated with TPA hardness ( P < 0.05 , r = −0.553) but positively correlated with TPA chewiness ( P < 0.05 , r = 0.596). After stepwise regression analysis, the prediction equation between the sensory springiness and TPA hardness was obtained as SSp=5.770−0.002Ha. These results provide a basis for predicting the quality of large mouth bass cured products.

Li, Meijin↗

DOE OSTI2023

Fluorescence lifetime measurements using photon pair correlations generated via spontaneous parametric down conversion (SPDC)

We have used photon pair correlations generated via spontaneous parametric downconversion (SPDC) to measure the fluorescence lifetime of the organic dye rhodamine 6 G, demonstrating that fluorescence lifetime measurements can be achieved using a continuous wave (CW) laser, without pulsed or modulated lasers. Our entangled photon method, quantum fluorescence lifetime (Q-FL) measurements, uses one photon to excite fluorescence and the resulting fluorescence photon is timed and referenced to the arrival time of the other entangled photon. Thus, we can exploit the short timescale of photon pair correlations to conduct experiments that are typically carried out with pulsed lasers and we show that the inherent timing of the photons is fast enough to resolve the nanosecond scale fluorescence lifetime of the sample. This measurement paves the way towards using the time correlations of entangled photons for fluorescence imaging; capitalizing on the presence of fast, sub-100 ps correlations that have not been demonstrated classically.

Eshun, Audrey (ORCID:0000000167697082)↗

DOE OSTI2025

Third-order photon correlations extract single-nanocrystal multiexciton properties in solution

Colloidal semiconductor nanocrystals are considered promising materials for high-flux optical applications, including lasing, light-emitting diodes, biological imaging, and quantum optics. In high-flux applications, multiexcitons can significantly contribute to emission, influencing its brightness, spectral purity, and kinetics. As a result, understanding and controlling multiexciton emission in colloidal nanocrystal materials is of the utmost importance. In the past, single-nanocrystal photon correlation methods have been applied to understand biexciton and triexciton efficiencies, lifetimes, and spectra. While powerful, such methods suffer from user selection bias and require stable emission from single nanocrystals. To compensate for this shortcoming, second-order correlation methods were developed to extract sample-averaged biexciton properties from a solution of nanocrystals. Until now, however, the analogous third-order solution photon correlation methods remained unexplored. In this work, we present a pair of third-order photon correlation techniques to obtain the sample-averaged single-nanocrystal triexciton quantum yield and lifetime in a solution-phase experiment. These techniques derive from the relationship between the Poisson probability of nanocrystal photon absorption and the intrinsic probability of nanocrystal photon emission. We validate the theoretical background of these techniques by creating a numerical model to simulate the diffusion and emission of many nanocrystals in solution. Our simulations confirm that the average triexciton quantum yield and triexciton lifetime can be extracted from a solution of nanocrystals. These techniques will enable researchers to gain a better understanding of the fundamental multiexciton properties of colloidal nanocrystals.

Horowitz, Jonah R. [Massachusetts Institute of Tec↗

DOE OSTI2022

Azimuthal correlations in diffractive scattering at the Electron-Ion Collider

We calculate azimuthal correlations between the exclusively produced vector meson and the scattered electron in Deep Inelastic Scattering processes at the future Electron-Ion Collider (EIC). We identify ``kinematical'' and ``intrinsic'' contributions to these correlations, and show that the correlations are sensitive to the non-trivial correlations in the gluon distribution of the target. Realistic predictions at the EIC kinematics are provided using two different approaches to describe the dipole-proton interaction at relatively small x.

Dumitru, Adrian↗

DOE OSTI2020

Tagged Short-Range Correlations for Medium to Heavy Ions at an Electron Ion Collider

Understanding short-range correlations between pairs of nucleons in the nucleus is an important nuclear physics topic that can address longstanding mysteries in nuclear physics such as the behavior of dense nuclear systems and the modification of parton distributions. As a collider and with a large acceptance detector, the Jefferson Lab version of the Electron Ion Collider has unique capabilities that are complementary to previous short-range correlation studies, most notably the ability to more fully reconstruct the final state. Optimization of the collider’s detector to maximally exploit these capabilities called for important extensions of existing simulation tools. For this one year laboratory directed research and development project, we upgraded the benchmark electron-nucleon event generator for lepto-production simulation code Benchmark eA Generator for LEptoproduction (BeAGLE) to be able to handle tagged medium-to-heavy nucleons. This included updating the code to correctly handle Fermi motion of nucleons in the nucleus as well as the large momentum caused by short-range correlations. In addition, we also investigated the possibility of improved kinematic reconstruction methods for electron nucleon collisions and looked at pair-spectator tagging of short-range correlations with the Jefferson Lab electron ion collider design. The project progressed very much as planned.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Applying Waveform Correlation and Waveform Template Metadata to Mining Blasts to Reduce Analyst Workload

Organizations that monitor for underground nuclear explosive tests are interested in techniques that automatically characterize mining blasts to reduce the human analyst effort required to produce high - quality event bulletins. Waveform correlation is effective in finding similar waveforms from repeating seismic events, including mining blasts. In this study we use waveform template event metadata to seek corroborating detections from multiple stations in the International Monitoring System of the Preparatory Commission for the Comprehensive Nuclear-Test-Ban Treaty Organization. We build upon events detected in a prior waveform correlation study of mining blasts in two geographic regions, Wyoming and Scandinavia. Using a set of expert analyst-reviewed waveform correlation events that were declared to be true positive detections, we explore criteria for choosing the waveform correlation detections that are most likely to lead to bulletin-worthy events and reduction of analyst effort.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Actinides and Correlated Electron Materials

The Actinides and Correlated Electron Materials area of leadership spans Los Alamos National Laboratory competency in actinide materials research dating to the Manhattan Project as articulated in the Integrated Plutonium Science and Research Strategy and competency in strongly correlated electron systems dating back to at least the early 1980s. This area of leadership focuses on the goals of discovering, understanding, and controlling emergent electronic states and predictive performance of actinide materials. They are quintessentially linked by the fact that the physics of actinides—and plutonium in particular—are governed by strong electronic correlations. Not only is the electronic structure of actinides dictated by fine details of electron correlations, but chemical bonding and physical structure are as well. Hence, by addressing the first goal of this leadership area we can significantly accelerate progress on the second goal. To understand such matter requires probing the intertwined spin, charge, orbital, and lattice degrees of freedom with greater precision and developing models that accurately predict the consequences of these coupled degrees of freedom, on multiple length and time scales and including acute reactivity and effects of self-irradiation phenomena in these materials.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Graph Contractions for Calculating Correlation Functions in Lattice QCD

Chen, Jie↗

DOE OSTI2023

(U) Correlated Sampling Using Batch Statistics to Reduce the Uncertainty of Combinations of KSEN Outputs with MCNP6

The relative sensitivity of k eff to the densities of nuclides in a material are combined to compute relative sensitivities to other inputs. When computed in a single Monte Carlo run, the nuclide density sensitivities are correlated, and the statistical uncertainties propagated to other inputs will be incorrect unless those correlations are accounted for. Equations are presented to apply correlated sampling using batch statistics for the sum of an arbitrary number of random tallies and the difference of two random tallies when each is multiplied by a different constant. When correlated sampling is used on a recent benchmark evaluation, the correct statistical uncertainties for certain combinations of sensitivities are dramatically smaller than the incorrect uncertainties. A user-controlled, regular output of MCNP6’s KSEN sensitivities that allows batch statistics to be applied to combinations would be extremely valuable.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗