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At least 775 records · Page 43

Uncertainty analysis for VERA problem 2 using the cell-code Condor v2.8.05

Condor is a cell-level neutronic calculation code that applies multi-group collision probabilities with heterogeneous response coupling method within generic geometry configurations. Under the Condor's code continuous development, the incorporation of up-to-date methodologies and state-of-the-art practices in reactor analysis represents a driving force. In this work, the capabilities of Condor v2.8.05 to develop an uncertainty analysis for realistic PWR-kind fuel assemblies are studied. The Total Monte Carlo approach is applied to quantify the impact of fabrication tolerances in the code's results for reactivity and power distributions, by means of randomly sampled input values using the VERA problem 2 as basis. The VERA problem 2 proposes a series of Westinghouse 2D 17 x 17-type fuel lattices, to be calculated reflected at beginning-of-life without Xe. The configurations correspond to a modern PWR. Selected neutronic parameters from Condor runs are thus analyzed in terms of the observed spread as well as the obtained distributions for the randomly perturbed cases, showing the capability of the code to handle the required input data, as well as its ability to provide valuable insights regarding uncertainty quantification.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Cosmological moduli and non-perturbative production of axions

Cosmological moduli generically come to dominate the energy density of the early universe, and thereby trigger an early matter dominated era. Such non-standard cosmological histories are expected to have profound effects on the evolution and production of axion cold dark matter and dark radiation, as well as their prospects for detection. We consider moduli-axion couplings and investigate the early history of the coupled system, considering closely the evolution of the homogeneous modulus field, the back-reaction from the axion, and the energy densities of the two fields. A particular point of interest is the enhancement of axion production from modulus decay, due to tachyonic and parametric resonant instabilities, and the implications of such production on the cosmological moduli problem, axion dark radiation, and the available parameter space for axion dark matter. Using an effective field theory approach, WKB-based semi-analytical analysis, and detailed numerical estimates of the co-evolution of the system, we evaluate the expected decay efficiency of the modulus to axions. The effects of higher-order operators are studied and implications for UV-complete frameworks such as the Large Volume Scenarios in Type IIB string theory are considered in detail.

Axions and ALPs↗

Implosion dynamics of triple-nozzle gas-puff z pinches on COBRA

Experiments on the 1-MA, 220-ns COBRA generator at Cornell University were conducted to provide detailed measurements of structured cylindrical gas-puff z pinches. In the experiments, a 7 cm diameter triple-nozzle gas valve assembly with concentric outer and inner annular nozzles and a central gas jet initialize the z-pinch load with various working gases, radial density profiles, and externally applied axial magnetic fields. Planar laser-induced fluorescence provides a measure of the initial neutral gas density of the load, while three-frame laser shearing interferometry and multi-frame extreme ultraviolet (XUV) cameras reveal the formation and propagation of a magneto-Rayleigh–Taylor (MRT) unstable shock layer. Implosion trajectories are compared to simple, experimentally informed models and found to be in good agreement. Differences in the structure of the accelerating plasma sheath and evolution of the MRT instability are observed for different gas species and axial magnetic field strengths, correlating with differences in pinch uniformity and x-ray emission. Here, the average instability growth is compared to linear MRT theory predictions using the instantaneous acceleration of the best-fit implosion models and characteristic instability wavelength, with the effective Atwood number and seed perturbation size as fit parameters. For high density argon center jets, ionization prior to the arrival of the imploding plasma sheath suggests a heating mechanism consistent with photoionization by XUV self-emission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ThAu 2 – , ThAu 2 O – , and ThAuOH – anions: Photoelectron spectroscopic and theoretical characterization

The thorium–gold negative ions ThAu 2 – , ThAu 2 O – , and ThAuOH – have been observed and experimentally characterized by anion photoelectron spectroscopy. These experiments are accompanied by extensive ab initio electronic structure calculations using a relativistic composite methodology based primarily on coupled cluster singles and doubles with perturbative triples calculations. The theoretical electron affinities (EAs) at 0 K agree with the experimental adiabatic EAs to within 0.02 eV for all species. Two separate isomers were located in the calculations for ThAuOH – , and detachment from both of these appears to be present in the photoelectron spectrum. Excited electronic states of the neutral molecules are reported at the equation of motion-coupled cluster singles and doubles level of theory. Atomization energies and heats of formation are also calculated for each neutral species and have expected uncertainties of 3 and 4 kcal/mol, respectively. The σ bonds between Th and Au are determined by natural bond orbital analysis to consist of predominately sd hybrids on Th bonding with the Au 6s orbital. In order to investigate the correspondence between the bonding in Th–Au and Th–F molecules, a limited number of calculations were also carried out on most of the F-analogs of this study. These results demonstrate that Au does behave like F in these cases, although the Th–F σ bonds are much more ionic compared to Th–Au. This results in an EA for ThF 2 that is 10 kcal/mol smaller than that of ThAu 2 . The EA values for the Th(IV) species, i.e., ThX 2 O and ThXOH, only differed, however, by 3–4 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigation of mode activity in NBI-heated experiments of Wendelstein 7-X

The 2018 operation phase (OP 1.2b) of the stellarator Wendelstein 7-X (W7-X) included, for the first time, neutral beam injection (NBI) to heat the plasma. Since the injection geometry at W7-X is not parallel, this generates both passing and trapped fast particles. During longer phases of NBI injection, with the primary purpose to study the heating efficiency of this system, Alfvén eigenmodes (AEs) were observed by a number of diagnostics, including the phase contrast imaging (PCI) system, the magnetic pick-up coils (Mirnov coils), and the soft x-ray multi-camera tomography system (XMCTS). Alfvén eigenmodes are of great interest for future fusion reactors as it has been shown that the resonant interaction of fast ions with self-excited AEs can lead to enhanced transport of fast ions and potentially to energy losses. This is especially true for so-called gap-modes, Alfvén eigenmodes with frequencies in gaps of the continuous spectrum, since they lack continuum damping. These modes are commonly known to be excited by fast ions, but other destabilizing mechanisms, e.g. the electron-pressure gradient are also possible. In this article we present a first analysis of the experimentally observed frequencies from the theoretical side. The calculation of shear Alfvén wave continua for selected cases and the assignment of observed frequencies to the gaps of the continuous spectra are presented. Using the ideal-MHD code CKA (Könies A. 2007 10th IAEA TM on Energetic Particles in Magnetic Confinement System), we find gap modes that match the experimental measurements in terms of the observed frequencies. We emphasize the crucial roles played by the coupling of sound and Alfvén waves as well as of the Doppler shift arising as a consequence of the radial electric field in W7-X. We employ the perturbative gyrokinetic code CKA-EUTERPE (Feh´er 2013 Simulation of the interaction between Alfv´en waves and fast particles), using a slowing-down distribution function for the fast ions as calculated by the Monte-Carlo particle following code ASCOT (Hirvijoki et al 2014 Comput. Phys. Commun. 185 1310–21) to assess the fast-ion drive. Here we find that the fast-ion drive is insufficient to overcome the background-plasma damping. The fact that unstable modes were observed experimentally may point to problems with the modelling or indicate the existence of other destabilizing mechanisms, e.g. associated with the electron-pressure gradient (Windisch et al 2017 Plasma Phys. Control. Fusion 59 105002) that sensitively depend on the profiles of the background plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Semileptonic form factors for $$B\rightarrow D^*\ell \nu $$ at nonzero recoil from $$2+1$$-flavor lattice QCD: Fermilab Lattice and MILC Collaborations

Abstract We present the first unquenched lattice-QCD calculation of the form factors for the decay $$B\rightarrow D^*\ell \nu $$ B → D ∗ ℓ ν at nonzero recoil. Our analysis includes 15 MILC ensembles with $$N_f=2+1$$ N f = 2 + 1 flavors of asqtad sea quarks, with a strange quark mass close to its physical mass. The lattice spacings range from $$a\approx 0.15$$ a ≈ 0.15 fm down to 0.045 fm, while the ratio between the light- and the strange-quark masses ranges from 0.05 to 0.4. The valence b and c quarks are treated using the Wilson-clover action with the Fermilab interpretation, whereas the light sector employs asqtad staggered fermions. We extrapolate our results to the physical point in the continuum limit using rooted staggered heavy-light meson chiral perturbation theory. Then we apply a model-independent parametrization to extend the form factors to the full kinematic range. With this parametrization we perform a joint lattice-QCD/experiment fit using several experimental datasets to determine the CKM matrix element $$|V_{cb}|$$ | V cb | . We obtain $$\left| V_{cb}\right| = (38.40 \pm 0.68_{\text {th}} \pm 0.34_{\text {exp}} \pm 0.18_{\text {EM}})\times 10^{-3}$$ V cb = ( 38.40 ± 0 . 68 th ± 0 . 34 exp ± 0 . 18 EM ) × 10 - 3 . The first error is theoretical, the second comes from experiment and the last one includes electromagnetic and electroweak uncertainties, with an overall $$\chi ^2\text {/dof} = 126/84$$ χ 2 /dof = 126 / 84 , which illustrates the tensions between the experimental data sets, and between theory and experiment. This result is in agreement with previous exclusive determinations, but the tension with the inclusive determination remains. Finally, we integrate the differential decay rate obtained solely from lattice data to predict $$R(D^*) = 0.265 \pm 0.013$$ R ( D ∗ ) = 0.265 ± 0.013 , which confirms the current tension between theory and experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NNLL resummation of Sudakov shoulder logarithms in the heavy jet mass distribution

The heavy jet mass event shape has large perturbative logarithms near the leading order kinematic threshold at ρ = $\frac{1}{3}$. Catani and Webber named these logarithms Sudakov shoulders and resummed them at double-logarithmic level. A resummation to next-to-leading logarithmic level was achieved recently. Here, we extend the resummation using an effective field theory framework to next-to-next-to-leading logarithmic order and show how to combine it with the resummation of dijet logarithms. We also solve the open problem of an unphysical singularity in the resummed momentum space distribution, in a way similar to how it is resolved in the Drell-Yan q T spectrum: through a careful analysis of the kinematics and scale-setting in position space. The heavy jet mass Sudakov shoulder is the first observable that does not involve transverse momentum for which position space resummation is critical. These advances may lead to a more precise extraction of the strong coupling constant from e + e – data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Influence of triangularity on the plasma response to resonant magnetic perturbations

The effect of the axisymmetric plasma shape on the non-axisymmetric plasma response to resonant magnetic perturbations is investigated in experiment and modeling for the DIII-D, EAST and ASDEX Upgrade tokamaks. Systematically modeling the effect of the triangularity, whilst keeping other equilibrium quantities largely unchanged, reveals that the plasma response is strongly suppressed at high triangularity compared to that at low triangularity. This is validated through targeted comparison with experiments at DIII-D, EAST, and ASDEX Upgrade. DIII-D and EAST magnetic measurements are used to validate simulations, while at ASDEX Upgrade the plasma edge displacement is measured. Both experiments and modeling find a reduced magnetic plasma response on the high-field side at high triangularity across devices. Multi-modal analysis of the simulation results extracts the mode structure and applied spectrum dependence of each mode. The amplitude of the dominant mode reveals similar trends with the edge resonance and radial displacement near the X-point, which suggests that the multi-mode plasma response provides another way to understand the edge localized mode (ELM) control physics. The plasma response is strongly reduced at high triangularity compared to that at low triangularity, which implies different ELM control effects as shaping is varied. Furthermore, these findings indicate that the plasma shape should be taken into consideration when designing an RMP-ELM control strategy in experiment, and that predictive plasma response calculations can be used to maximize access to RMP-ELM control in future devices by maximizing the coupling between coils and the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Formation of Complex Spin Textures in Thermally Demagnetized La 0.7 Sr 0.3 Mn O 3 Artificial-Spin-Ice Structures

Artificial spin ices (ASIs) have traditionally been designed such that each nanomagnet possesses a single-domain magnetic configuration that is assumed to be minimally perturbed by interisland dipolar interactions. Using x-ray photoemission electron microscopy to perform magnetic domain imaging, we study thermally demagnetized La 0.7 Sr 0.3 MnO 3 -based brickwork ASI arrays and showed that complex spin textures (CSTs) can be stabilized through an appropriate selection of nanoisland width and interisland spacing. While the width dependence can be explained through the dominance of shape anisotropy in isolated nanoislands, the ASIs we investigate demonstrate a complex dependence on both the nanoisland width and interisland spacing. Micromagnetic simulations reveal that interisland dipolar interactions play a role in the formation of CSTs, which are composed of single- and double-vortex states. Furthermore, energy analysis of the simulations provides an understanding of the system energetics that arises from a delicate balance between intraisland effects (i.e., shape anisotropy and exchange energy) and interisland effects (i.e., dipolar interactions between nearest-neighbor nanoislands).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nanoscale degeneracy lifting in a geometrically frustrated antiferromagnet

The local atomic and magnetic structures of the compounds A MnO 2 (A = Na, Cu), which realize a geometrically frustrated, spatially anisotropic triangular lattice of Mn spins, have been investigated by atomic and magnetic pair distribution function analysis of neutron total scattering data. Relief of frustration in CuMnO 2 is accompanied by a conventional cooperative symmetry-lowering lattice distortion driven by Néel order. In NaMnO 2 , however, the distortion has a short-range nature. A cooperative interaction between the locally broken symmetry and short-range magnetic correlations lifts the magnetic degeneracy on a nanometer length scale, enabling long-range magnetic order in the Na derivative. The degree of frustration, mediated by residual disorder, contributes to the rather differing pathways to a single, stable magnetic ground state in these two related compounds. This study demonstrates how nanoscale structural distortions that cause local-scale perturbations can lift the ground-state degeneracy and trigger macroscopic magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Long-period Jovian Tilts the Orbits of Two sub-Neptunes Relative to Stellar Spin Axis in Kepler-129

We present the discovery of Kepler-129 d (P{sub d}=7.2{sub -0.3}{sup +0.4} yr, msini{sub d}=8.3{sub -0.7}{sup +1.1} M{sub Jup}, e{sub d}=0.15{sub -0.05}{sup +0.07}) based on six years of radial-velocity observations from Keck/HIRES. Kepler-129 also hosts two transiting sub-Neptunes: Kepler-129 b (P {sub b} = 15.79 days, r {sub b} = 2.40 ± 0.04 R {sub ⊕}) and Kepler-129 c (P {sub c} = 82.20 days, r {sub c} = 2.52 ± 0.07 R {sub ⊕}) for which we measure masses of m {sub b} < 20 M {sub ⊕} and m{sub c}=43{sub -12}{sup +13} M{sub ⊕}. Kepler-129 is a hierarchical system consisting of two tightly packed inner planets and a massive external companion. In such a system, two inner planets precess around the orbital normal of the outer companion, causing their inclinations to oscillate with time. Based on an asteroseismic analysis of Kepler data, we find tentative evidence that Kepler-129 b and c are misaligned with stellar spin axis by ≳38°, which could be torqued by Kepler-129 d if it is inclined by ≳19° relative to inner planets. Using N-body simulations, we provide additional constraints on the mutual inclination between Kepler-129 d and inner planets by estimating the fraction of time during which two inner planets both transit. The probability that two planets both transit decreases as their misalignment with Kepler-129 d increases. We also find a more massive Kepler-129 c enables the two inner planets to become strongly coupled and more resistant to perturbations from Kepler-129 d. The unusually high mass of Kepler-129 c provides a valuable benchmark for both planetary dynamics and interior structure, since the best-fit mass is consistent with this 2.5 R {sub ⊕} planet having a rocky surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Spectroscopic features of dissolved iodine in pristine and gamma-irradiated nitric acid solutions

While iodine speciation is important for a wide range of nuclear activities, understanding the mechanisms of the transformations of iodine between chemical forms and the sensitivity of these transitions to solution conditions and exposure to radiation remains an active area of research. This work curates spectroscopic data from several experimental techniques and establishes their sensitivity and limitations in detecting changes in iodine speciation in both neutral and acidic regimes. The techniques include Raman spectroscopy, Fourier Transform Infrared (FTIR) spectroscopy, 127 I NMR spectroscopy, and ultraviolet-visible (UV-Vis) spectroscopy. Analysis of these data indicates that these commonly accessible spectroscopies often have dynamic ranges of measurable concentrations that do not always overlap between all techniques. The experimental techniques are disparately sensitive to iodide (I - ), molecular iodine (I 2 ), iodate (IO 3 - ), and periodate (IO 4 - ) species. Raman, FTIR, and NMR spectra were subsequentially analyzed using two-dimensional correlation analyses to generate high-resolution autocorrelation spectra. Here, the use of these spectroscopies is then extended to tracking acidification-induced and gamma irradiation-induced transformations of dissolved sodium iodate in deionized water and concentrated nitric acid. Both dissolution into nitric acid and irradiation with a gamma source are demonstrated to perturb the iodine speciation promoting their assembly into molecular iodine (I 2 ) and/or triiodide (I 3 - ). While I 2 and I 3 - species are undetectable with FTIR spectroscopy and 127 I NMR spectroscopy, the species can be detected with UV-Vis spectroscopy, and in some instances, I 3 - can be detected with Raman spectroscopy in the low wavenumber region. Ultimately, the results of this work provide a path to designing optimal combinations of techniques to detect forms of iodine across a wide range of concentrations and conditions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Measurement of the $t\bar{t}$ charge asymmetry in events with highly Lorentz-boosted top quarks in pp collisions at $\sqrt{s}$ = 13 TeV

The measurement of the charge asymmetry in top quark pair events with highly Lorentz-boosted top quarks decaying to a single lepton and jets is presented. The analysis is performed using proton-proton collisions at $\sqrt{s}$ = 13 TeV with the CMS detector at the LHC and corresponding to an integrated luminosity of 138 fb -1 . The selection is optimized for top quarks produced with large Lorentz boosts, resulting in nonisolated leptons and overlapping jets. The top quark charge asymmetry is measured for events with a $t\bar{t}$ invariant mass larger than 750 GeV and corrected for detector and acceptance effects using a binned maximum likelihood fit. The measured top quark charge asymmetry of ($0.42_{-0.69}^{+0.64}$) % is in good agreement with the standard model prediction at next-to-next-to-leading order in quantum chromodynamic perturbation theory with next-to-leading-order electroweak corrections. The result is also presented for two invariant mass ranges, 750–900 and > 900 GeV .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Linear simulation of magnetohydrodynamic plasma response to three-dimensional magnetic perturbations in high-β P plasmas

In this work, we report the numerical analyses of linear magnetohydrodynamics (MHD) plasma response to applied three-dimensional magnetic perturbations (MPs) in a joint DIII-D/EAST collaboration on high-β P (poloidal beta) plasmas, utilizing the extended-MHD code M3D-C1, with the purpose of realizing a better understanding of the existing experiment in which the n=3 MPs were applied to such high-β P plasmas attempting to control large amplitude type-I ELMs. Such high-β P plasmas obtained at the DIII-D tokamak feature an upper-biased double null configuration, a high edge safety factor q 95 ~6.4, and a stable internal transport barrier (ITB) leading to relatively high core pressures. Single-fluid simulations show that the plasma response to n=3 MPs, including both non-resonant/kinking and resonant components, is significantly weaker than that to n=1 or 2 MPs. To survey the impact of q 95 on plasma response to applied MPs, the SEGWAY (Self-consistent Equilibrium Generating Workflow for AnalYsis) module, developed in the OMFIT integrated modelling framework, is employed to generate a series of equilibria with a wide range of q 95 while other key parameters including the normalized beta, electron density at pedestal top, and plasma shape are kept fixed. Compared to the vacuum response, single-fluid M3D-C1 simulations predict a much more significant decrease of resonant plasma response to the applied n=3 MPs at the maximum penetration radii as q 95 increases. In contrast to single-fluid simulation results showing resonant penetration occurs only near the pedestal top where the E×B toroidal rotation frequency is zero, two-fluid simulations show two comparable resonant penetrations locating near the pedestal top and the ITB foot, where the perpendicular electron rotation frequency is zero. Such resonant field penetration near the ITB foot may be responsible for the observed formation of a staircase structure in both electron density and temperature profiles and thereby a considerable deterioration of global plasma performance when MPs are applied in high-β P plasmas. Motivated by this numerical work, we provide some ideas for the future research, with the purpose of realizing effective ELM control in such high-β P plasmas on the DIII-D and EAST devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical Codes for the DESC-LSST Analysis Pipeline: Core Cosmology Library Standard Modules and Beyond wCDM Modules (Final Technical Report)

The overall objective of the project is to investigate and develop specific software modules and analysis components for the software pipeline of LSST Dark Energy Science Collaboration (DESC). Following the key projects of DESC Science Roadmap (SRM), we will write and test computer codes for the Core Cosmology Library (CCL) in order to complete its modules, functionalities, and interface to work with the analysis pipelines from the five science probes of DESC (parts of SRM deliverables CX4.2TJP, CX6.2CS). We will also code modules for CCL to test models beyond w-Cold-Dark-Matter (wCDM) and modification to gravity (MG). Interfaces for MG models will also be developed for the TJPCOSMO software which is the main pipeline of the Theory and Joint Probe (TJP) working group (deliverable TJP2.3). In order to use the full power of LSST data to constrain MG models, we will also work on constraints from nonlinear regime by running and analyzing MG N-Body simulations using a Parameterized-Post-Friedmann framework into the Gadget-2 simulation package (deliverable TJP2.2). Preliminary results for the simulations were obtained in the past. In collaboration with other DESC groups, we plan to make these simulations feedable to cosmic emulators that are practical for likelihood analyzes (deliverable TJP2.2, parts of CX6.2CS). We will also modify and integrate our current codes for consistency tests between data sets and probes into the pipeline (parts of deliverables CX8.2TJP, TJP2.3). We understand that other groups will contribute to some of these objectives but our team will focus and collaborate with others on the particular part of testing MG and models beyond wCDM and refine the DESC pipeline for this purpose. PI has been coordinating his work with the TJP and CS working groups and the DESC management team. PI is a full member of DESC since June 2013. He and his students have been contributing to LSST-DESC activities and work including TJP telecons, collaboration meetings, hack-weeks, and workshops. PI chaired or co-chaired sessions at collaboration meetings and hack-weeks about testing gravity and models beyond wCDM using LSST. He is coordinating the TJP2 projects for testing models beyond wCDM including the writing of DESC-research-note, development of code for pipeline, and N-Body simulations for MG and beyond wCDM models testable with LSST analyses. As stressed in the DESC white paper, SRM, and P5 report, one of the important questions in understanding cosmic acceleration and dark energy is to be able to distinguish whether the acceleration is due to a dark energy component in the universe or a modification to gravity. Answering these questions will have a significant impact on the question of cosmic acceleration and dark energy. The methods that we will use include analytical work, numerical code, and N-Body simulations. A first approach that that we will use consists of using growth rate parameters that enter the perturbed dynamics equations. These parameters take distinctive values for distinct gravity theories and have potential to distinguish between Dark Energy and Modified Gravity. The second method is to look for inconsistencies in Dark Energy parameter spaces using specific combinations of cosmological data sets. Our investigation addresses the Dark Energy problem that is relevant to the mission of the HEP program to understand how our universe works at its most fundamental level. It will allow us to make progress on the HEP mission to explore the nature of Dark Energy and the basic nature of space and time using future surveys such as LSST. The investigation supports the DOE HEP program Cosmic Frontier as it will contribute to the study and understanding of dark energy and fundamental properties of the universe. The investigation contributes directly to LSST-DESC key projects and their deliverables as described in the Science Road-map document to build analysis pipeline and to test dark energy and beyond wCDM models using LSST.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Improving the accuracy of the variational quantum eigensolver for molecular systems by the explicitly-correlated perturbative [2] R12 -correction

We provide an integration of the universal, perturbative explicitly correlated [2] R12 -correction in the context of the Variational Quantum Eigensolver (VQE). This approach is able to increase the accuracy of the underlying reference method significantly while requiring no additional quantum resources. The proposed approach only requires knowledge of the one- and two-particle reduced density matrices (RDMs) of the reference wavefunction; these can be measured after having reached convergence in the VQE. This computation comes at a cost that scales as the sixth power of the number of electrons. Here, we explore the performance of the VQE + [2] R12 approach using both conventional Gaussian basis sets and our recently proposed directly determined pair-natural orbitals obtained by multiresolution analysis (MRA-PNOs). Both Gaussian orbital and PNOs are investigated as a potential set of complementary basis functions in the computation of [2] R12 . In particular the combination of MRA-PNOs with [2] R12 has turned out to be very promising – persistently throughout our data, this allowed very accurate simulations at a quantum cost of a minimal basis set. Additionally, we found that the deployment of PNOs as complementary basis can greatly reduce the number of complementary basis functions that enter the computation of the correction at a complexity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of machine learning and artificial intelligence to extend EFIT equilibrium reconstruction

Recent progress in the application of machine learning (ML)/artificial intelligence (AI) algorithms to improve the Equilibrium Fitting (EFIT) code equilibrium reconstruction for fusion data analysis applications is presented. A device-independent portable core equilibrium solver capable of computing or reconstructing equilibrium for different tokamaks has been created to facilitate adaptation of ML/AI algorithms. A large EFIT database comprising of DIII-D magnetic, motional Stark effect, and kinetic reconstruction data has been generated for developments of EFIT model-order-reduction (MOR) surrogate models to reconstruct approximate equilibrium solutions. Furthermore, a neural-network MOR surrogate model has been successfully trained and tested using the magnetically reconstructed datasets with encouraging results. Other progress includes developments of a Gaussian process Bayesian framework that can adapt its many hyperparameters to improve processing of experimental input data and a 3D perturbed equilibrium database from toroidal full magnetohydrodynamic linear response modeling using the Magnetohydrodynamic Resistive Spectrum - Feedback (MARS-F) code for developments of 3D-MOR surrogate models.

Gaussian process↗

Efficient precision simulation of processes with many-jet final states at the LHC

We present a scalable technique for the simulation of collider events with multijet final states, based on an improved parton-level event file format and scalable I / O . The method is implemented for both leading- and next-to-leading-order QCD calculations. We perform a comprehensive analysis of the computing performance and validate our new framework using Higgs-boson plus multijet production with up to seven jets. We make the resulting code base available for public use. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗