Related papers: Scalable Computation of $\mathcal{H}_\infty$ Energ…
Energy functions offer natural extensions of controllability and observability Gramians to nonlinear systems, enabling various applications such as computing reachable sets, optimizing actuator and sensor placement, performing balanced…
We use direct numerical simulations to study homogeneous, and isotropic turbulent flows of dilute polymer solutions at high Reynolds and Deborah numbers. We find that for small wavenumbers $k$, the kinetic energy spectrum shows…
Suitable discretizations through tensor product formulas of popular multidimensional operators (diffusion or diffusion--advection, for instance) lead to matrices with $d$-dimensional Kronecker sum structure. For evolutionary Partial…
A class of nonlinear problems on the plane, described by nonlinear inhomogeneous $\bar{\partial}$-equations, is considered. It is shown that the corresponding dynamics, generated by deformations of inhomogeneous terms (sources) is described…
We introduce energy-preserving integrators for nonholonomic mechanical systems. We will see that the nonholonomic dynamics is completely determined by a triple $({\mathcal D}^*, \Pi, \mathcal{H})$, where ${\mathcal D}^*$ is the dual of the…
This paper presents a tensor-recovery method to solve probabilistic power flow problems. Our approach generates a high-dimensional and sparse generalized polynomial-chaos expansion that provides useful statistical information. The result…
This paper considers an $N$-server distributed computing setting with $K$ users requesting functions that are arbitrary multivariable polynomial evaluations of $L$ real (potentially non-linear) basis subfunctions, where each function output…
In the three-dimensional flat space, a classical Hamiltonian, which has five functionally independent integrals of motion, including the Hamiltonian, is characterized as superintegrable. Kalnins, Kress and Miller (J. Math. Phys. 48 (2007),…
We present an accurate and efficient real-space Density Functional Theory (DFT) framework for the ab-initio study of non-orthogonal crystal systems. Specifically, employing a local reformulation of the electrostatics, we develop a novel…
In this paper we extend the $H^\infty$ functional calculus to quaternionic operators and to $n$-tuples of noncommuting operators using the theory of slice hyperholomorphic functions and the associated functional calculus, called…
We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…
An accurate non-gradient-expansion based correction to Thomas--Fermi is developed using solvable model. The used model is a system of $N$ non-interacting electrons moving independently in the Coulomb field of the nuclear charge. The…
The non-additive non-interacting kinetic energy is calculated exactly for fragments of H$_2$, Li$_2$, Be$_2$, C$_2$, N$_2$, F$_2$, and Na$_2$ within partition density-functional theory. The resulting fragments are uniquely determined and…
An approach to generalize any kind of collinear functionals in density functional theory to non-collinear functionals is proposed. This approach, for the very first time, satisfies the correct collinear limit for any kind of functionals,…
In this paper we focus on energy flows in simple quantum systems. This is achieved by concentrating on the quantum Hamilton-Jacobi equation. We show how this equation appears in the standard quantum formalism in essentially three different…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
The theoretical description of observables at collider experiments relies on factorization theorems separating perturbative dynamics from universal non-perturbative matrix elements. Despite significant recent progress in extending these…
We present and analyze an unconditionally energy stable and convergent finite difference scheme for the Functionalized Cahn-Hilliard equation. One key difficulty associated with the energy stability is based on the fact that one nonlinear…
We present a tensor-structured algorithm for efficient large-scale DFT calculations by constructing a Tucker tensor basis that is adapted to the Kohn-Sham Hamiltonian and localized in real-space. The proposed approach uses an additive…
The intrinsic energy minimization in dynamical systems offers a valuable tool for minimizing the objective functions of computationally challenging problems in combinatorial optimization. However, most prior works have focused on mapping…