相关论文: An Energy-based, always Index $\le1$ and Structura…
Methods for discretizing port-Hamiltonian systems are of interest both for simulation and control purposes. Despite the large literature on mixed finite elements, no rigorous analysis of the connections between mixed elements and…
Recently we proposed an information entropy based method for electronic structure calculations within the density-matrix functional theory(DMFT) (Phys. Rev. Lett. 128, 013001), dubbed as $i$-DMFT. Comments have been raised regarding the…
In this work, we introduce new methods for the quantization, decomposition, and extraction (from electromagnetic simulations) of lumped-element circuit models for superconducting quantum devices. Our flux-charge symmetric procedures center…
We offer an insight into our mathematical endeavors, which aim to advance the foundational understanding of energy systems in a broad context, encompassing facets such as charge transport, energy storage, markets, and collective behavior.…
In this paper, we develop high-order splitting methods for linear port-Hamiltonian systems, focusing on preserving their intrinsic structure, particularly the dissipation inequality. Port-Hamiltonian systems are characterized by their…
Infinite-dimensional linear port-Hamiltonian systems on a one-dimensional spatial domain with full boundary control and without internal damping are studied. This class of systems includes models of beams and waves as well as the transport…
In this work we propose a novel composite method for accurate calculation of the energies of many-electron atoms. The dominant contribution to the energy (pair energies) are calculated by using explicitly correlated factorisable coupled…
This paper presents a structure-preserving spatial discretization method for distributed parameter port-Hamiltonian systems. The class of considered systems are hyperbolic systems of two conservation laws in arbitrary spatial dimension and…
In some applications there arises the need of a spatially distributed description of a physical quantity inside a device coupled to a circuit. Then, the in-space discretised system of partial differential equations is coupled to the system…
This contribution deals with energy-based in-domain control of systems governed by partial differential equations with spatial domain up to dimension two. We exploit a port-Hamiltonian system description based on an underlying jet-bundle…
We study nonlinear singular optimal control problems of port-Hamil-tonian (descriptor) systems. We employ general control-affine cost functionals that include as a special case the energy supplied to the system. We first derive optimality…
Atomic effective one-electron potentials in a compact analytic form in terms of a few Gaussian charge distributions are developed, for Hydrogen through Nobelium, for starting molecular electronic structure calculations by a simple…
Matrix mechanics is developed to describe the bound state spectra in few- and many-electron atoms, ions and molecules. Our method is based on the matrix factorization of many-electron (or many-particle) Coulomb Hamiltonians which are…
It is shown that the Coulomb many-particle Hamiltonians are always factorized. This fact can be used to obtain the closed analytical formula(s) for the bound state spectra of an arbitrary many-particle Coulomb system. For few- and…
Classical vector analysis is the predominant formalism used by engineers of computational electromagnetism, despite the fact that manifold as a theoretical concept has existed for a century. This paper discusses the benefits of manifolds…
Energy-based models (EBMs) are powerful probabilistic models, but suffer from intractable sampling and density evaluation due to the partition function. As a result, inference in EBMs relies on approximate sampling algorithms, leading to a…
Recent advances have shown that the circuit simulation algorithms that allow for solving highly nonlinear circuits of over one billion variables can be applicable to power system simulation and optimization problems through the use of an…
We implement and investigate the numerical properties of a new family of integrators connecting both variants of the symplectic Euler schemes, and including an alternative to the classical symplectic mid-point scheme, with some additional…
A finite element discretization using a method of lines approached is proposed for approximately solving the Poisson-Nernst-Planck (PNP) equations. This discretization scheme enforces positivity of the computed solutions, corresponding to…
Port-Hamiltonian systems result from port-based network modeling of physical systems and are an important example of passive state-space systems. In this paper, we develop the framework for model reduction of large-scale…