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We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous…
We present a numerical method for approximating the solutions of degenerate parabolic equations with a formal gradient flow structure. The numerical method we propose preserves at the discrete level the formal gradient flow structure,…
This work presents a rigorous mathematical formulation for topology optimization of a macrostructure undergoing ductile failure. The prediction of ductile solid materials which exhibit dominant plastic deformation is an intriguingly…
Dielectric measurements on molecular liquids just above the glass transition indicate that alpha relaxation is characterized by a generic high-frequency loss varying as $\omega^{-1/2}$, whereas deviations from this come from one or more…
This article offers a new perspective for the mechanics of solids using moving Cartan's frame, specifically discussing a mixed variational principle in non-linear elasticity. We treat quantities defined on the co-tangent bundles of…
Interfacial energy plays an important role in equilibrium morphologies of nanosized microstructures of solid materials due to the high interface-to-volume ratio, and can no longer be neglected as it does in conventional mechanics analysis.…
We describe a framework for reformulating and solving optimization problems that generalizes the well-known framework originally introduced by Benders. We discuss details of the application of the procedures to several classes of…
We study uniqueness of Dirichlet problems of second order divergence-form elliptic systems with transversally independent coefficients on the upper half-space in absence of regularity of solutions. To this end, we develop a substitute for…
This note is to concern a generalization to the case of twisted coefficients of the classical theory of Abelian differentials on a compact Riemann surface. We apply the Dirichlet's principle to a modified energy functional to show the…
We study a mathematical model for deformation of glued elastic bodies in 2D or 3D, which is a linear elasticity system with adhesive force on the glued surface. We reveal a variational structure of the model and prove the unique existence…
We present an application of error theory using Dirichlet Forms in linear partial differential equations (LPDE). We study the transmission of an uncertainty on the terminal condition to the solution of the LPDE thanks to the decomposition…
Problems with sign-changing coefficients occur, for instance, in the study of transmission problems with metamaterials. In this work, we present and analyze a generalized finite element method in the spirit of the Localized Orthogonal…
We consider sequential and parallel decomposition methods for a dual problem of a general total variation minimization problem with applications in several image processing tasks, like image inpainting, estimation of optical flow and…
We introduce Riemannian-like structures associated with strong local Dirichlet forms on general state spaces. Such structures justify the principle that the pointwise index of the Dirichlet form represents the effective dimension of the…
Estimating individual-level treatment effect from observational data is a fundamental problem in causal inference and has attracted increasing attention in the fields of education, healthcare, and public policy.In this work, we concentrate…
We extend the classical deconvolution framework in Rn to the case with a pseudodifferential-like solution operator with a symbol depending on both the base and cotangent variable. Our framework enables deconvolution with spatially varying…
The present work demonstrates a robust protocol for probing localized electronic structure in condensed-phase systems, operating in terms of a recently proposed theory for decomposing the results of Kohn-Sham density functional theory in a…
We apply topological methods to obtain global continuation results for harmonic solutions of some periodically perturbed ordinary differential equations on a $k$-dimensional differentiable manifold $M \subseteq \mathbb{R}^m$. We assume that…
In this paper we consider and generalize a model, recently proposed and analytically investigated in its quasi-stationary approximation by the authors, for visco-elasticity with large deformations and conditional compatibility, where the…
Harmonic surface deformation is a well-known geometric modeling method that creates plausible deformations in an interactive manner. However, this method is susceptible to artifacts, in particular close to the deformation handles. These…