相关论文: Uncertainty quantification due to optical potentia…
Advection-diffusion equations describe a large family of natural transport processes, e.g., fluid flow, heat transfer, and wind transport. They are also used for optical flow and perfusion imaging computations. We develop a machine learning…
Charge density waves (CDW) are ubiquitous in the complex phase diagram of cuprate superconductors and exhibit both short- and long-range correlations. Using time-resolved resonant X-ray scattering, we investigate the photo-induced dynamics…
The eikonal, partial wave (PW) Lippmann-Schwinger, and three-dimensional Lippmann- Schwinger (LS3D) methods are compared for nuclear reactions that are relevant for space radiation applications. Numerical convergence of the eikonal method…
We performed density functional calculations to estimate the formation energies of intermetallic alloys. We used two semilocal approximations, the generalized gradient approximation (GGA) by Perdew-Burke-Ernzerhof (PBE) and the strongly…
The $\gamma$-process in core-collapse and/or type Ia supernova explosions is thought to explain the origin of the majority of the so-called $p$ nuclei (the 35 proton-rich isotopes between Se and Hg). Reaction rates for $\gamma$-process…
When recording the movement of individual animals, cells or molecules one will often observe changes in their diffusive behaviour at certain points in time along their trajectory. In order to capture the different diffusive modes assembled…
Recent advancements in diffusion models have demonstrated significant success in unsupervised anomaly segmentation. For anomaly segmentation, these models are first trained on normal data; then, an anomalous image is noised to an…
Atomistic simulations often rely on interatomic potentials to access greater time- and length- scales than those accessible to first principles methods such as density functional theory (DFT). However, since a parameterised potential…
Accurate prediction of molecular vibrational frequencies is important to identify spectroscopic signatures and reaction thermodynamics. In this work, we develop a method to quantify uncertainty associated with density functional theory…
Relativistic and unfactorized calculations for the nuclear transparency extracted from exclusive A(e,e'p) reactions for 0.3 \leq Q^2 \leq 10 (GeV/c)^2 are presented for the target nuclei C, Si, Fe and Pb. For Q^2 \geq 0.6 (GeV/c)^2, the…
Up to now, it is not possible to obtain analytical solutions for complex molecular association processes (e.g. Molecule recognition in Signaling or catalysis). Instead Brownian Dynamics (BD) simulations are commonly used to estimate the…
Interacting quantum spin models are remarkably useful for describing different types of physical, chemical, and biological systems. Significant understanding of their equilibrium properties has been achieved to date, especially for the case…
Measurements of the elastic scattering angular distribution for the d+$^{197}$Au system were carried out covering deuteron incident energies in the range from 5 to 16 MeV, i.e. approximately 50% below and above the Coulomb barrier. A…
Coupled waveguides are convenient at implementing useful optical transformations. In this letter, we investigate the uncertainty of transformation by two coupled waveguides that stems from the perturbations of waveguide's mode indices~---…
Refractory complex concentrated alloys (RCCA) exhibit exceptional strength and thermal stability, yet their plastic deformation mechanisms under complex contact loading remain insufficiently understood. Here, the nanoindentation response of…
A review of the recent applications of the dispersive optical model (DOM) is presented. Emphasis is on the nonlocal implementation of the DOM that is capable of describing ground-state properties accurately when data like the nuclear charge…
This thesis develops a general theoretical and numerical framework for achieving high-contrast atom interferometry based on double Bragg diffraction (DBD). While DBD offers intrinsic symmetry, reduced sensitivity to internal-state…
Background: Analyses of elastic scattering with the optical model (OMP) are widely used in nuclear reactions. Purpose: Previous work compared a traditional frequentist approach and a Bayesian approach to quantify uncertainties in the OMP.…
We introduce a method for the estimation of uncertainties in density-functional-theory (DFT) calculations for atomistic systems. The method is based on the construction of an uncertainty-aware functional distribution (UAFD) in a space…
The angular distributions of elastic scattering of $^{7}$Li, as well as the lithium-induced reaction of one-nucleon transfers $^{10}$B($^{7}$Li,$^{6}$Li)$^{11}$B were measured at $E_\text{lab}$ = 58 MeV. Experiment was done using U-400…