Related papers: Advancing Scanning Probe Microscopy Simulations: A…
Metal additive manufacturing via laser-based powder bed fusion (PBF-LB/M) faces performance-critical challenges due to complex melt pool and vapor dynamics, often oversimplified by computational models that neglect crucial aspects, such as…
Plug-and-Play (PnP) is a non-convex optimization framework that combines proximal algorithms, for example, the alternating direction method of multipliers (ADMM), with advanced denoising priors. Over the past few years, great empirical…
PySDM is an open-source Python package for simulating the dynamics of particles undergoing condensational and collisional growth, interacting with a fluid flow and subject to chemical composition changes. It is intended to serve as a…
Molecular fingerprints are significant cheminformatics tools to map molecules into vectorial space according to their characteristics in diverse functional groups, atom sequences, and other topological structures. In this paper, we set out…
Scanning probe microscopy (SPM) has been extensively applied to probe interfacial water in many interdisciplinary fields but the disturbance of the probes on the hydrogen-bonding structure of water has remained an intractable problem. Here…
Laser treatment has emerged into a cornerstone of industrial manufacturing. This creates the demand to understand in detail the involved physical processes and their dynamics, to control the process, and to keep guard in-situ the laser…
Scanning transmission electron microscopy is a common tool used to study the atomic structure of materials. It is an inherently multimodal tool allowing for the simultaneous acquisition of multiple information channels. Despite its…
Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-body methods should be offering deep insights into these…
A low-temperature ultra-high vacuum scanning probe microscopy (SPM) system with molecular beam epitaxy capability and optical access was conceived, built, and tested in our lab. The design of the whole system is discussed here, with special…
Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…
Scattering scanning near-field optical microscopy (s-SNOM) is a technique to enhance the spatial resolution, and when combined by Fourier transform spectroscopy it can provide spectroscopic information with high spatial resolution. This…
The physical processes at the interface of a low-temperature plasma and a solid are extremely complex. They involve a huge number of elementary processes in the plasma, in the solid as well as charge, momentum and energy transfer across the…
Electronic conduction pathways in dielectric thin films are explored using automated experiments in scanning probe microscopy (SPM). Here, we use large field of view scanning to identify the position of localized conductive spots and…
Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the…
For inhomogeneous systems with interfaces, the inclusion of long-range dispersion interactions is necessary to achieve consistency between molecular simulation calculations and experimental results. For accurate and efficient incorporation…
Microplasmas can be used for a wide range of technological applications and to improve our understanding of fundamental physics. Scanning electron microscopy, on the other hand, provides insights into the sample morphology and chemistry of…
Modeling plasma physical processes in astrophysical context demands for both detailed kinetics and large scale development of the electromagnetic field densities. We present a new framework for modeling plasma physics of hot tenuous plasmas…
Virtual try-on can significantly improve the garment shopping experiences in both online and in-store scenarios, attracting broad interest in computer vision. However, to achieve high-fidelity try-on performance, most state-of-the-art…
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation, for molecules represented as non-overlapping spherical cavities.…
Computational pathology, which involves analyzing whole slide images for automated cancer diagnosis, relies on multiple instance learning, where performance depends heavily on the feature extractor and aggregator. Recent Pathology…