Related papers: Advancing Scanning Probe Microscopy Simulations: A…
We have built PRISM, a "Probabilistic Regression Instrument for Simulating Models". PRISM uses the Bayes linear approach and history matching to construct an approximation ('emulator') of any given model, by combining limited model…
In this dissertation, a fully object-oriented, fully relativistic, multi-dimensional Particle-In-Cell code was developed and applied to answer key questions in plasma-based accelerator research. The simulations increase the understanding of…
Atom probe tomography (APT) is a burgeoning characterization technique that provides compositional mapping of materials in three-dimensions at near-atomic scale. Since its significant expansion in the past 30 years, we estimate that one…
Probabilistic graphical models (PGMs) serve as a powerful framework for modeling complex systems with uncertainty and extracting valuable insights from data. However, users face challenges when applying PGMs to their problems in terms of…
We present the development of an automated scanning probe microscopy (SPM) measurement system using an advanced large-scale language model (LLM). This SPM system can receive instructions via social networking services (SNS), and the…
Active Plasma Resonance Spectroscopy (APRS) is a well-established plasma diagnostic method: a radio frequency signal is coupled into the plasma via a probe or antenna, excites it to oscillate, and the response is evaluated through a…
Solids facing a plasma are a common situation in many astrophysical systems and laboratory setups. Moreover, many plasma technology applications rely on the control of the plasma-surface interaction. However, presently often a fundamental…
A numerical analysis of the origin of the atomic-scale contrast in Kelvin probe force microscopy (KPFM) is presented. Atomistic simulations of the tip-sample interaction force field have been combined with a non-contact Atomic Force…
The point spread function (PSF) is fundamental to any type of microscopy, most importantly so for single-molecule localization techniques, where the exact PSF shape is crucial for precise molecule localization at the nanoscale. However,…
Antimicrobial peptides (AMPs) play important roles in cancer, autoimmune diseases, and aging. A critical aspect of AMP functionality is their targeted interaction with pathogen membranes, which often possess altered lipid compositions.…
Noncontact particle manipulation (NPM) technology has significantly extended mankind's analysis capability into micro and nano scale, which in turn greatly promoted the development of material science and life science. Though NPM by means…
Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…
Surface wave tomography is essential for investigating the shear-wave velocity structure of the crust and upper mantle. The direct surface wave tomography method, DSurfTomo, has become one of the most widely adopted packages due to its…
Processing-in-Memory (PIM) has emerged as a promising computing paradigm to address the memory wall and the fundamental bottleneck of the von Neumann architecture by reducing costly data movement between memory and processing units. As with…
An adpative integration technique for time advancement of particle motion in the context of coupled computational fluid dynamics (CFD) - discrete element method (DEM) simulations is presented in this work. CFD-DEM models provide an accurate…
With the great development of parallel computing techniques, the particle-particle (PP) model has been successfully applied in a number of plasma applications. Comparing to particle-mesh (PM) models, for example the widely used…
This paper presents hep-aid, a modular Python library conceived for utilising, implementing, and developing parameter scan algorithms. Originally devised for sample-efficient, multi-objective active search approaches in computationally…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
This master thesis introduces the idea of dynamic cutoffs in molecular dynamics simulations, based on the distance between particles and the interface, and presents a solution for detecting interfaces in real-time. Our dynamic cutoff method…
Atomic Force Microscopy (AFM) has a great potential as a tool to characterize mechanical and morphological properties of living cells; these properties have been shown to correlate with cells' fate and patho-physiological state in view of…