Related papers: An Efficient Algorithm for Topological Characteris…
The problem of ring formation in solutions of cylindrical micelles is reinvestigated theoretically, taking into account a finite bending rigidity of the self-assembled linear objects. Transitions between three regimes are found when the…
Cells exhibit a wide variety of different shapes. This diversity poses a challenge for computational approaches that attempt to shed light on the role cell geometry plays in regulating cell physiology and behavior. The simulation platform…
This paper introduces a simple but highly efficient ensemble for robust texture classification, which can effectively deal with translation, scale and changes of significant viewpoint problems. The proposed method first inherits the spirit…
Weyl semimetals (WSMs) constitute a 3D phase with linearly-dispersing Weyl excitations at low energy, which lead to unusual electrodynamic responses and open Fermi arcs on boundaries. We derive a simple criterion to identify and…
The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given…
We present a new sink particle algorithm developed for the Adaptive Mesh Refinement code RAMSES. Our main addition is the use of a clump finder to identify density peaks and their associated regions (the peak patches). This allows us to…
Thin-shell structures, found in biological systems such as beetle carapaces and widely used in aerospace, civil, and mechanical engineering, achieve remarkable strength-to-mass ratio given their slenderness and curved geometries. However,…
A feature-mapping framework for inverse reconstruction of density-based topology optimization results is proposed. Unlike SIMP, whose voxelized outputs are hard to interpret or reuse, the method represents designs with high-level geometric…
The atomic-level structure of bulk metallic glasses is a key determinant of their properties. An accurate representation of amorphous systems in computational studies has traditionally required large supercells that are unfortunately…
Single-molecule force spectroscopy (smFS) is a powerful approach to studying molecular self-organization. However, the coupling of the molecule with the ever-present experimental device introduces artifacts, that complicates the…
We present a rigorous convergence analysis of a new method for density-based topology optimization that provides point-wise bound preserving design updates and faster convergence than other popular first-order topology optimization methods.…
The molten sand, a mixture of calcia, magnesia, alumina, and silicate, known as CMAS, is characterized by its high viscosity, density, and surface tension. The unique properties of CMAS make it a challenging material to deal with in…
Topology optimization (TO) is a popular and powerful computational approach for designing novel structures, materials, and devices. Two computational challenges have limited the applicability of TO to a variety of industrial applications.…
Automated methods for discovering mechanistic simulator models from observational data offer a promising path toward accelerating scientific progress. Such methods often take the form of agentic-style iterative workflows that repeatedly…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
Techniques from computational topology, in particular persistent homology, are becoming increasingly relevant for data analysis. Their stable metrics permit the use of many distance-based data analysis methods, such as multidimensional…
Wormlike micellar solutions formed by long-chained zwitterionic surfactants show gel-like rheology at room temperature and have recently been found to exhibit other complex and interesting rheological features. We study the dynamics of…
Local geometrical features of a porous material such as the shape and size of a pore or the curvature of a solid ligament often affect the macroscopic properties of the material, and their characterization is necessary to fully understand…
In this study, we present a method of pattern mining based on network theory that enables the identification of protein structures or complexes from synthetic volume densities, without the knowledge of predefined templates or human biases…
The equilibrium properties of block copolymer micelles confined in polymer thin films are investigated using self-consistent field theory. The theory is based on a model system consisting of AB diblock copolymers and A homopolymers. Two…