Related papers: An Efficient Algorithm for Topological Characteris…
We present a new method for the statistical process control of lattice structures using tools from Topological Data Analysis. Motivated by applications in additive manufacturing, such as aerospace components and biomedical implants, where…
The Finite element method (FEM) has long served as the computational backbone for topology optimization (TO). However, for designing structures undergoing large deformations, conventional FEM-based TO often exhibits numerical instabilities…
Liquid crystals have proven to provide a versatile experimental and theoretical platform for studying topological objects such as vortices, skyrmions, and hopfions. In parallel, in hard condensed matter physics, the concept of topological…
We establish, through coarse-grained computation, a connection between traditional, continuum numerical algorithms (initial value problems as well as fixed point algorithms) and atomistic simulations of the Larson model of micelle…
Following the realization of Weyl semimetals in quantum electronic materials, classical wave analogues of Weyl materials have also been theorized and experimentally demonstrated in photonics and acoustics. Weyl points in elastic systems,…
In this work, we study the perception problem for sampled surfaces (possibly with boundary) using tools from computational topology, specifically, how to identify their underlying topology starting from point-cloud samples in space, such as…
In this paper, we extend our analysis of lattice systems using the wavelet transform to systems for which exact enumeration is impractical. For such systems, we illustrate a wavelet-accelerated Monte Carlo (WAMC) algorithm, which…
The need for analysis of toxicity in new drug candidates and the requirement of doing it fast have asked the consideration of scientists towards the use of artificial intelligence tools to examine toxicity levels and to develop models to a…
Topological data analysis is an emerging mathematical concept for characterizing shapes in multi-scale data. In this field, persistence diagrams are widely used as a descriptor of the input data, and can distinguish robust and noisy…
We construct algorithms and topological invariants that allow us to distinguish the topological type of a surface, as well as functions and vector fields for their topological equivalence. In the first part (arXiv:2501.15657), we discused…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
Forced response curves (FRCs) of nonlinear systems can exhibit complex behaviors, including hardening/softening behavior and bifurcations. Although topology optimization holds great potential for tuning these nonlinear dynamic responses,…
Topological materials present unconventional electronic properties that make them attractive for both basic science and next-generation technological applications. The majority of currently known topological materials have been discovered…
The wavelength of a periodic spatial structure of Turing type is an intrinsic property of the considered reaction-diffusion dynamics and we address the question of its control at the microscopic scale for given dynamical parameters. The…
We develop a theoretical model for the solubilization of phospholipid bilayers by micelle-forming surfactants. Cylindrical micelles, disc-like micelles and spherical micelles are considered as alternative resultant structures. The main…
We study both experimentally and theoretically the self-assembly of binary block copolymers in dilute solution, where self-assembly is triggered by changing the solvent from the common good solvent THF to the selective solvent water, and…
This contribution reports for the first time on fabrication and investigation of wetting properties of structured surfaces containing lamellae with an exceptionally high aspect ratio - height/width ratio demonstrated of 57:1. The lamellar…
The linked cell list algorithm is an essential part of molecular simulation software, both molecular dynamics and Monte Carlo. Though it scales linearly with the number of particles, there has been a constant interest in increasing its…
A detailed description is provided of a new Worm Algorithm, enabling the accurate computation of thermodynamic properties of quantum many-body systems in continuous space, at finite temperature. The algorithm is formulated within the…
(Abbreviated) In this paper we report on the development of a multiscale method for simulating complex liquid-liquid systems such as water in contact with oil containing asphaltenes. We consider simulations where water drops covered with…