Related papers: Extending Continuum Models for Atom Probe Simulati…
Atom probe tomography (APT) helps elucidate the link between the nanoscale chemical variations and physical properties, but it has limited structural resolution. Field ion microscopy (FIM), a predecessor technique to APT, is capable of…
Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex…
We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…
We propose and analyze a constrained level-set method for semi-automatic image segmentation. Our level-set model with constraints on the level-set function enables us to specify which parts of the image lie inside respectively outside the…
We propose and analyze a constrained level-set method for semi-automatic image segmentation. Our level-set model with constraints on the level-set function enables us to specify which parts of the image lie inside respectively outside the…
We introduce a novel method for Additive Noise Analysis for Persistence Thresholding (ANAPT) which separates significant features in the sublevel set persistence diagram of a time series based on a statistics analysis of the persistence of…
A crucial limitation of current high-resolution 3D photoacoustic tomography (PAT) devices that employ sequential scanning is their long acquisition time. In previous work, we demonstrated how to use compressed sensing techniques to improve…
If one seeks to test quantum theory against many alternatives in a landscape of possible physical theories, then it is crucial to be able to analyze experimental data in a theory-agnostic way. This can be achieved using the framework of…
We implement a shape optimization algorithm for body-assisted light-matter interactions described by the formalism of macroscopic quantum electrodynamics. The approach uses the level-set method to represent and incrementally evolve…
Resolving single atoms in large-scale volumes has been a goal for atomic resolution microscopy for a long time. Electron microscopy has come close to this goal using a combination of advanced electron optics and computational imaging…
The Accurate Particle Tracer (APT) code is designed for large-scale particle simulations on dynamical systems. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are…
There exist two groups of electron microscopy methods that are capable of providing three-dimensional (3D) structural information of an object, i.e., electron tomography and depth sectioning. Electron tomography is capable of resolving…
We present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the coupling of the atomistic and continuum models as a constrained optimization problem with virtual Dirichlet controls on the…
Pre-trained Vision-Language Models (VLMs) have recently shown promise in detecting anomalies. However, previous approaches are fundamentally limited by their reliance on human-designed prompts and the lack of accessible anomaly samples,…
Atomic electron tomography (AET) enables the determination of 3D atomic structures by acquiring a sequence of 2D tomographic projection measurements of a particle and then computationally solving for its underlying 3D representation.…
Semiconductor devices are scaled down to the level which constituent materials are no longer considered continuous. To account for atomistic randomness, surface effects and quantum mechanical effects, an atomistic modeling approach needs to…
One exciting progress in recent cold atom experiments is the development of high resolution, in situ imaging techniques for atomic quantum gases [1-3]. These new powerful tools provide detailed information on the distribution of atoms in a…
BOUT++ is a 3D nonlinear finite-difference plasma simulation code, capable of solving quite general systems of PDEs, but targeted particularly on studies of the edge region of tokamak plasmas. BOUT++ is publicly available, and has been…
Accelerated destructive degradation tests (ADDT) are widely used in industry to evaluate materials' long term properties. Even though there has been tremendous statistical research in nonparametric methods, the current industrial practice…
Rigorous computer simulations of propagating electromagnetic fields have become an important tool for optical metrology and optics design of nanostructured components. As has been shown in previous benchmarks some of the presently used…