Related papers: Propagating geometry information to finite element…
Morphing materials allow us to create new modalities of interaction and fabrication by leveraging dynamic behaviors of materials. Yet, despite the ongoing rapid growth of computational tools within this realm, current developments are…
Transformers have become methods of choice in many applications thanks to their ability to represent complex interactions between elements. However, extending the Transformer architecture to non-sequential data such as molecules and…
In this paper we consider finite element approaches to computing the mean curvature vector and normal at the vertices of piecewise linear triangulated surfaces. In particular, we adopt a stabilization technique which allows for first order…
The present level of development of molecular force field methods is assessed from the point of view of simulation-based engineering, outlining the immediate perspective for further development and highlighting the newly emerging discipline…
An innovative computational approach to capturing the essential aspects of an Enhanced Geothermal System (EGS) is formulated. The modified finite element method is utilized to model transient heat and fluid flow within an EGS reservoir.…
The melting point of a material constitutes a pivotal property with profound implications across various disciplines of science, engineering, and technology. Recent advancements in machine learning potentials have revolutionized the field,…
Computational design can excite the full potential of soft robotics that has the drawbacks of being highly nonlinear from material, structure, and contact. Up to date, enthusiastic research interests have been demonstrated for individual…
Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…
Real-world applications of computational fluid dynamics often involve the evaluation of quantities of interest for several distinct geometries that define the computational domain or are embedded inside it. For example, design optimization…
Geometric Deep Learning techniques have become a transformative force in the field of Computer-Aided Design (CAD), and have the potential to revolutionize how designers and engineers approach and enhance the design process. By harnessing…
Employing simplex space-time meshes enlarges the scope of compressible flow simulations. The simultaneous discretization of space and time with simplex elements extends the flexibility of unstructured meshes from space to time. In this…
Atomic diffusion affects the properties of various engineering materials, which predominantly occur in the polycrystalline state. A rigorous description of polycrystalline diffusion must therefore account for crystallographic defects,…
Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such…
Topology optimization is widely used by engineers during the initial product development process to get a first possible geometry design. The state-of-the-art is the iterative calculation, which requires both time and computational power.…
Computer-aided design (CAD) is the most widely used modeling approach for technical design. The typical starting point in these designs is 2D sketches which can later be extruded and combined to obtain complex three-dimensional assemblies.…
Computer-aided design (CAD) is the backbone of modern industrial design, yet learned CAD generators still fall short of real engineering pipelines: they neither iterate like engineers nor evaluate what engineering requires. Prior work has…
With a large number of software tools dedicated to the visualisation and/or demonstration of properties of geometric constructions and also with the emerging of repositories of geometric constructions, there is a strong need of linking…
In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…
In order to analyze and extract different structural properties of distributions, one can introduce different coordinate systems over the manifold of distributions. In Evolutionary Computation, the Walsh bases and the Building Block Bases…
A proof of convergence is given for semi- and full discretizations of mean curvature flow of closed two-dimensional surfaces. The numerical method proposed and studied here combines evolving finite elements, whose nodes determine the…