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It is now well established that the homogenization of a periodic array of parallel dielectric fibers with suitably scaled high permittivity can lead to a (possibly) negative frequency-dependent effective permeability. However this result…
Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their…
We derive, by means of variational techniques, a limiting description for a class of integral functionals under linear differential constraints. The functionals are designed to encode the energy of a high-contrast composite, that is, a…
Acoustic wave propagation through a homogeneous material embedded in an unbounded medium can be formulated as a boundary integral equation and accurately solved with the boundary element method. The computational efficiency deteriorates at…
Calculating thermodynamic potentials and observables efficiently and accurately is key for the application of statistical mechanics simulations to materials science. However, naive Monte Carlo approaches, on which such calculations are…
The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by…
In this paper we study quantitative stochastic homogenization of a nonlinearly elastic composite material with a laminate microstructure. We prove that for deformations close to the set of rotations the homogenized stored energy function…
In many applications of X-ray computed tomography, an unsupervised segmentation of the reconstructed 3D volumes forms an important step in the image processing chain for further investigation of the digitized object. Therefore, the goal is…
We experimentally study collective decay of an extended disordered ensemble of $N$ atoms inside a hollow-core fiber. We observe up to $300$-fold enhanced decay rates, strong optical bursts and a coherent ringing. Due to inhomogeneities…
Power sector capacity expansion models (CEMs) that are used for studying future low-carbon grid scenarios must incorporate detailed representation of grid operations. Often CEMs are formulated to model grid operations over representative…
Motivated by recent advances in solution methods for mixed-integer convex optimization (MICP), we study the fundamental and open question of which sets can be represented exactly as feasible regions of MICP problems. We establish several…
This paper aims at an accurate and efficient computation of effective quantities, e.g., the homogenized coefficients for approximating the solutions to partial differential equations with oscillatory coefficients. Typical multiscale methods…
The answers to many unsolved problems lie in the intractable chemical space of molecules and materials. Machine learning techniques are rapidly growing in popularity as a way to compress and explore chemical space efficiently. One of the…
A new statistical model designed for regression analysis with a sparse design matrix is proposed. This new model utilizes the positions of the limited non-zero elements in the design matrix to decompose the regression model into…
The matrix element method utilizes ab initio calculations of probability densities as powerful discriminants for processes of interest in experimental particle physics. The method has already been used successfully at previous and current…
For continuous-time linear stochastic dynamical systems driven by Wiener processes, we consider the problem of designing ensemble filters when the observation process is randomly time-sampled. We propose a continuous-discrete McKean--Vlasov…
Microstructured materials, such as architected metamaterials and phononic crystals, exhibit complex wave propagation phenomena due to their internal structure. While full-scale numerical simulations can capture these effects, they are…
Delamination is a critical mode of failure that occurs between plies in a composite laminate. The cohesive element, developed based on the cohesive zone model, is widely used for modeling delamination. However, standard cohesive elements…
In complex systems with many degrees of freedom such as peptides and proteins there exist a huge number of local-minimum-energy states. Conventional simulations in the canonical ensemble are of little use, because they tend to get trapped…
Periodic boundary conditions (PBCs) for computing magnetic fields in repeating magnetic structures, e.g. in micromagnetic simulations, are typically imposed using the quasi periodic macrogeometry approach, where many copies of the simulated…