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A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of pairwise-additive potentials, as in the…
The homogenization of a metamaterial made of a collection of scatterers periodically disposed is studied from three different points of view. Specifically tools for multiple scattering theory, functional analysis, differential geometry and…
When used in bulk applications, mechanical metamaterials set forth a multiscale problem with many orders of magnitude in scale separation between the micro and macro scales. However, mechanical metamaterials fall outside conventional…
Over the years, the DRAM latency has not scaled proportionally with its density due to the cost-centric mindset of the DRAM industry. Prior work has shown that this shortcoming can be overcome by reducing the critical length of DRAM access…
With the growing maturity of additive manufacturing, the fabrication of architected or lattice-based metamaterials has become a reality for industrial applications. These materials combine lightweight design with tailored mechanical…
We present numerical experiments for geophysics electromagnetic (EM) modeling based upon high-order edge elements and supervised $h+p$ refinement approaches on massively parallel computers. Our high-order $h+p$ refinement strategy is based…
Ab initio simulations of dislocations are essential to build quantitative models of material strength, but the required system sizes are often at or beyond the limit of existing methods. Many important structures are thus missing in the…
We present a new algorithm to design lightweight cellular materials with required properties in a multi-physics context. In particular, we focus on a thermo-mechanical setting, by promoting the design of unit cells characterized both by an…
Mechanical metamaterials often exhibit pattern transformations through instabilities, enabling applications in, e.g., soft robotics, sound reduction, and biomedicine. These transformations and their resulting mechanical properties are…
Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…
Neuromorphic or neurally-inspired optimizers rely on local but parallel parameter updates to solve problems that range from quadratic programming to Ising machines. An ideal realization of such an optimizer not only uses a compute-in-memory…
We study the effective behavior of heterogeneous energies arising in the modeling of material voids in geometrically linear elastic materials. Specifically, we consider functionals featuring bulk terms depending on the symmetrized gradient…
The aim of this work is the numerical homogenization of a parabolic problem with several time and spatial scales using the heterogeneous multiscale method. We replace the actual cell problem with an alternate one, using Dirichlet boundary…
We present a novel framework based on semi-bounded spatial operators for analyzing and discretizing initial boundary value problems on moving and deforming domains. This development extends an existing framework for well-posed problems and…
We apply a number of atomic decomposition schemes across the standard QM7 dataset -- a small model set of organic molecules at equilibrium geometry -- to inspect the possible emergence of trends among contributions to atomization energies…
Within a decade of fruitful developments, metamaterials became a prominent area of research, bridging theoretical and applied electrodynamics, electrical engineering and material science. Being man-made structures, metamaterials offer a…
A fast and efficient numerical-analytical approach is proposed for description of complex behaviour in non-equilibrium ensembles in the BBGKY framework. We construct the multiscale representation for hierarchy of partition functions by…
Skin modeling is an ongoing research area that highly benefits from modern parallel algorithms. This article aims at applying shape optimization to compute cell size and arrangement for elastic energy minimization of a cellular composite…
The nonlocal models of peridynamics have successfully predicted fractures and deformations for a variety of materials. In contrast to local mechanics, peridynamic boundary conditions must be defined on a finite volume region outside the…
This paper focuses on size effects in periodic mechanical metamaterials driven by reversible pattern transformations due to local elastic buckling instabilities in their microstructure. Two distinct loading cases are studied: compression…