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Numerical homogenization aims to efficiently and accurately approximate the solution space of an elliptic partial differential operator with arbitrarily rough coefficients in a $d$-dimensional domain. The application of the inverse operator…
In this paper we explore the possibility for solving the 3D Maxwell's equations in the presence of nonlinear and/or inhomogeneous material response. We propose using a hybrid approach which combines a bound- ary integral representation with…
The Newton iteration is a popular method for minimising a cost function on Euclidean space. Various generalisations to cost functions defined on manifolds appear in the literature. In each case, the convergence rate of the generalised…
A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this process in idealised systems consisting of the primitive model of…
In this work, we study the problem of dispersion of mobile robots on dynamic rings. The problem of dispersion of $n$ robots on an $n$ node graph, introduced by Augustine and Moses Jr. [1], requires robots to coordinate with each other and…
In this paper, we introduce both monotone and nonmonotone variants of LiBCoD, a \textbf{Li}nearized \textbf{B}lock \textbf{Co}ordinate \textbf{D}escent method for solving composite optimization problems. At each iteration, a random block is…
Quasi two-dimensional Coulomb systems have drawn widespread interest. The reduced symmetry of these systems leads to complex collective behaviors, yet simultaneously poses significant challenges for particle-based simulations. In this…
We introduce a numerical technique for controlling the location and stability properties of Hopf bifurcations in dynamical systems. The algorithm consists of solving an optimization problem constrained by an extended system of nonlinear…
The quantum-classical Liouville equation offers a rigorous approach to nonadiabatic quantum dynamics based on surface hopping type trajectories. However, in practice the applicability of this approach has been limited to short times owing…
The Hyperspherical Harmonics (HH) method is one of the most accurate techniques to solve the quantum mechanical problem for nuclear systems with $A\le 4$. In particular, by applying the Rayleigh-Ritz or Kohn variational principle, both…
In numerical simulations of many charged systems at the micro/nano scale, a common theme is the repeated solution of the Poisson-Boltzmann equation. This task proves challenging, if not entirely infeasible, largely due to the nonlinearity…
Waves scattering from unbounded structures are always complicated problems for numerical simulations. For the case that the non-periodic incident field scattered by (locally perturbed) periodic surfaces, with the help of the Bloch…
We study an inverse boundary value problem in corrosion detection. The model is based on a conductivity equation with nonlinear Robin boundary condition. We prove that the nonlinear Robin term can be identified locally from Cauchy data…
We consider an inverse elastic scattering problem of simultaneously reconstructing a rigid obstacle and the excitation sources using near-field measurements. A two-phase numerical method is proposed to achieve the co-inversion of multiple…
A general-purpose computational homogenization framework is proposed for the nonlinear dynamic analysis of membranes exhibiting complex microscale and/or mesoscale heterogeneity characterized by in-plane periodicity that cannot be…
The $\mathsf{HYBRID}$ model was introduced as a means for theoretical study of distributed networks that use various communication modes. Conceptually, it is a synchronous message passing model with a local communication mode, where in each…
In machine learning and statistics, probabilistic inference involving multimodal distributions is quite difficult. This is especially true in high dimensional problems, where most existing algorithms cannot easily move from one mode to…
The growing availability of computational resources has significantly increased the interest of the scientific community in performing complex multi-physics and multi-domain simulations. However, the generation of appropriate computational…
An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows to understand important characteristics like thermodynamic,…
Photometric Stereo methods seek to reconstruct the 3d shape of an object from motionless images obtained with varying illumination. Most existing methods solve a restricted problem where the physical reflectance model, such as Lambertian…