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Deep generative models provide a promising approach to de novo 3D peptide design. Most of them jointly model the distributions of peptide's position, orientation, and conformation, attempting to simultaneously converge to the target pocket.…
A sensitive porosity adjoint method (SPAM) for optimizing the topology of fluid machines has been proposed. A sensitivity function with respect to the porosity has been developed. In the first step of the optimization process, porous media…
This paper addresses the problem of designing a sparse {\em fault-tolerant} BFS tree, or {\em FT-BFS tree} for short, namely, a sparse subgraph $T$ of the given network $G$ such that subsequent to the failure of a single edge or vertex, the…
Multiscale topology optimization is crucial for designing porous infill structures with high stiffness-to-weight ratios and excellent energy absorption. Although gradient-based methods provide a rigorous framework, they are computationally…
This paper presents a homogenized topology optimization (TO) method for spatially optimizing cell-size distribution of triply-periodic minimal surface (TPMS) structures, with high accuracy in the optimized structural response after…
In the current industry, the development of optimized mechanical components able to satisfy the customer requirements evolves quickly. Therefore, companies are asked for efficient solutions to improve their products in terms of stiffness…
Tensor B-spline methods are a high-performance alternative to solve partial differential equations (PDEs). This paper gives an overview on the principles of Tensor B-spline methodology, shows their use and analyzes their performance in…
This work presents a novel algorithm for generating porous structures as an alternative to the PoreSpy program suite. Unlike PoreSpy, which often produces structures whose porosity deviates from the target value, our proposed algorithm…
3D porous scaffolds based on agarose and nanocrystalline apatite, two structural components that act as a temporary mineralized extracellular matrix, were prepared by the GELPOR3D method. This shaping technology allows the introduction of…
It has recently been shown that triply periodic two-phase bicontinuous composites with interfaces that are the Schwartz primitive (P) and diamond (D) minimal surfaces are not only geometrically extremal but extremal for simultaneous…
Stochastic porous structures are ubiquitous in natural phenomena and have gained considerable traction across diverse domains owing to their exceptional physical properties. The recent surge in interest in microstructures can be attributed…
Construction of a scaffold structure that supports a desired motif, conferring protein function, shows promise for the design of vaccines and enzymes. But a general solution to this motif-scaffolding problem remains open. Current…
Navigating the vast chemical space of druggable compounds is a formidable challenge in drug discovery, where generative models are increasingly employed to identify viable candidates. Conditional 3D structure-based drug design (3D-SBDD)…
Additively manufactured hollow strut bioceramic scaffolds present a promising strategy towards enhanced performance in patient-tailored bone tissue engineering. The channels in such scaffolds offer pathways for nutrient and cell transport…
The development of porous polymeric membranes remains a labor-intensive process, often requiring extensive trial and error to identify optimal fabrication parameters. In this study, we present a fully automated platform for membrane…
Porous media are ubiquitous in energy storage and conversion, catalysis, biomechanics, hydrogeology, as well as many other fields. These materials possess high surface-to-volume ratios and their complex channels can restrict and guide the…
High-quality quadrilateral mesh generation is a fundamental challenge in computer graphics. Traditional optimization-based methods are often constrained by the topological quality of input meshes and suffer from severe efficiency…
Tomography is a widely used tool for analyzing microstructures in three dimensions (3D). The analysis, however, faces difficulty because the constituent materials produce similar grey-scale values. Sometimes, this prompts the image…
Fault tolerant distance preservers (spanners) are sparse subgraphs that preserve (approximate) distances between given pairs of vertices under edge or vertex failures. So-far, these structures have been studied mainly from a centralized…
Boundary representation (B-rep) of geometric models is a fundamental format in Computer-Aided Design (CAD). However, automatically generating valid and high-quality B-rep models remains challenging due to the complex interdependence between…