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Accelerated materials discovery is an urgent demand to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerged as a transformative approach for rapidly discovering new…

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…

A large family of periodic planar non-linear bimode metamaterials are constructed from rigid bars and pivots. They are affine materials in the sense that their macroscopic deformations are only affine deformations: at large distances any…

Materials Science · Physics 2015-06-05 Graeme Walter Milton

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

Generative machine learning models are increasingly being used to design novel proteins for therapeutic and biotechnological applications. However, the current methods mostly focus on the design of proteins with a fixed backbone structure,…

Biomolecules · Quantitative Biology 2025-03-04 Petr Kouba , Joan Planas-Iglesias , Jiri Damborsky , Jiri Sedlar , Stanislav Mazurenko , Josef Sivic

Smooth and curved microstructural topologies found in nature - from soap films to trabecular bone - have inspired several mimetic design spaces for architected metamaterials and bio-scaffolds. However, the design approaches so far have been…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Yaqi Guo , Saurav Sharma , Siddhant Kumar

Metamaterials are artificially engineered devices that go beyond the properties of conventional materials in nature. Metamaterials allow the creation of negative refractive indexes, light trapping with epsilon-near-zero compounds, bandgap…

Optics · Physics 2022-02-01 Antonio Alex-Amor , Angel Palomares-Caballero , Carlos Molero

The paper outlines novel variational technique for finding microstructures of optimal multimaterial composites, bounds of composites properties, and multimaterial optimal designs. The translation method that is used for the exact…

Optimization and Control · Mathematics 2014-03-10 Andrej Cherkaev

There is growing interest in engineering unconventional computing devices that leverage the intrinsic dynamics of physical substrates to perform fast and energy-efficient computations. Granular metamaterials are one such substrate that has…

Machine Learning · Computer Science 2024-04-09 Atoosa Parsa , Corey S. O'Hern , Rebecca Kramer-Bottiglio , Josh Bongard

Reinforcement learning-based methods for constructing solutions to combinatorial optimization problems are rapidly approaching the performance of human-designed algorithms. To further narrow the gap, learning-based approaches must…

Machine Learning · Computer Science 2025-10-07 André Hottung , Mridul Mahajan , Kevin Tierney

Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing…

Machine Learning · Computer Science 2019-01-30 Oshin Olesegun , Ryan Noraas , Michael Giering , Nagendra Somanath

In this paper we present a mixed projection- and density-based topology optimization approach. The aim is to combine the benefits of both parametrizations: the explicit geometric representation provides specific controls on certain design…

Computational Engineering, Finance, and Science · Computer Science 2019-10-09 Nicolò Pollini , Oded Amir

All-dielectric metasurfaces exhibit exotic electromagnetic responses, similar to those obtained with metal-based metamaterials. Research in all-dielectric metasurfaces currently uses relatively simple unit-cell designs, but increased…

Optics · Physics 2020-12-10 Yang Deng , Simiao Ren , Kebin Fan , Jordan M. Malof , Willie J. Padilla

We present a genetic algorithm for the atomistic design and global optimisation of substitutionally disordered bulk materials and surfaces. Premature convergence which hamper conventional genetic algorithms due to problems with…

Materials Science · Physics 2008-09-10 Chris E. Mohn , Walter Kob

We propose a solution strategy for a multimaterial minimum compliance topology optimization problem, which consists in finding the optimal allocation of a finite number of candidate (possibly anisotropic) materials inside a reference…

Numerical Analysis · Mathematics 2018-07-04 Francesco Regazzoni , Nicola Parolini , Marco Verani

The optimization of geometries for aerodynamic design often relies on a large number of expensive simulations to evaluate and iteratively improve the geometries. It is possible to reduce the number of simulations by providing a starting…

Computational Engineering, Finance, and Science · Computer Science 2024-09-23 Thomas Wagenaar , Simone Mancini , Andrés Mateo-Gabín

Protein sequence design must balance designability, defined as the ability to recover a target backbone, with multiple, often competing, developability properties such as solubility, thermostability, and expression. Existing approaches…

Machine Learning · Computer Science 2026-03-11 Xiaoyang Hou , Junqi Liu , Chence Shi , Xin Liu , Zhi Yang , Jian Tang

Colloidal self-assembly -- the spontaneous organization of colloids into ordered structures -- has been considered key to produce next-generation materials. However, the present-day staggering variety of colloidal building blocks and the…

Soft Condensed Matter · Physics 2021-06-29 Gabriele Maria Coli , Emanuele Boattini , Laura Filion , Marjolein Dijkstra

Data science and artificial intelligence are playing an increasingly important role in the physical sciences. Unfortunately, in the field of energetic materials data scarcity limits the accuracy and even applicability of ML tools. To…

Recent advancements in artificial intelligence (AI)-based design strategies for metamaterials have revolutionized the creation of customizable architectures spanning nano- to macro-scale dimensions, achieving unprecedented mechanical…

Applied Physics · Physics 2024-05-22 Namjung Kim , Dongseok Lee , Chanyoung Kim , Dosung Lee , Youngjoon Hong