Related papers: Gradient-based Design of Computational Granular Cr…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
Chains of resonators in the form of spring-mass systems have long been known to exhibiting interesting properties such as band gaps. Such features can be leveraged to manipulate the propagation of waves such as the filtering of specific…
We present a materials generation framework that couples a symmetry-conditioned variational autoencoder (CVAE) with a differentiable SO(3) power spectrum objective to steer candidates toward a specified local environment under the…
Performing analog computations with metastructures is an emerging wave-based paradigm for solving mathematical problems. For such devices, one major challenge is their reconfigurability, especially without the need for a priori mathematical…
This article presents new algorithms for massively parallel granular dynamics simulations on distributed memory architectures using a domain partitioning approach. Collisions are modelled with hard contacts in order to hide their…
In the past two decades, artificial structures known as metamaterials have been found to exhibit extraordinary material properties that enable the unprecedented manipulation of electromagnetic waves, elastic waves, molecules, and particles.…
Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…
The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable…
Phononic crystals and acoustic metamaterials are periodic structures whose effective properties can be tailored at will to achieve extreme control on wave propagation. Their refractive index is obtained from the homogenization of the…
This paper deals with differentiable dynamical models congruent with neural process theories that cast brain function as the hierarchical refinement of an internal generative model explaining observations. Our work extends existing…
Discontinuities in spatial derivatives appear in a wide range of physical systems, from creased thin sheets to materials with sharp stiffness transitions. Accurately modeling these features is essential for simulation but remains…
Numerically robust algorithmic formulations suitable for rate-independent crystal plasticity are presented. They cover classic local models as well as gradient-enhanced theories in which the gradients of the plastic slips are incorporated…
Stripe patterns are ubiquitous in nature and everyday life. While the synthesis of these patterns has been thoroughly studied in the literature, their potential to control the mechanics of structured materials remains largely unexplored. In…
We present a computational framework for efficient optimization-based "inverse design" of large-area "metasurfaces" (subwavelength-patterned surfaces) for applications such as multi-wavelength and multi-angle optimizations, and…
The ability of mechanical systems to perform basic computations has gained traction over recent years, providing an unconventional alternative to digital computing in off grid, low power, and severe environments which render the majority of…
Gradients of neural networks encode valuable information for optimization, editing, and analysis of models. Therefore, practitioners often treat gradients as inputs to task-specific algorithms, e.g. for pruning or optimization. Recent works…
In the field of magnonics, which uses magnons, the quanta of spin waves, for energy-efficient data processing, significant progress has been made leveraging the capabilities of the inverse design concept. This approach involves defining a…
As a two-dimensional planar material with low depth profile, a metasurface can generate non-classical phase distributions for the transmitted and reflected electromagnetic waves at its interface. Thus, it offers more flexibility to control…
Acoustic metamaterials are artificial structures, often lattice of resonators, with unusual properties. They can be engineered to stop wave propagation in specific frequency bands. Once manufactured, their dispersive qualities remain…
A class of algorithms for the solution of discrete material optimization problems in electromagnetic applications is discussed. The idea behind the algorithm is similar to that of the sequential programming. However, in each major iteration…