Related papers: A Projection-based Reduced-order Method for Electr…
We develop a modified Poisson-Nernst-Planck model which includes both the long-range Coulomb and short-range hard-sphere correlations in its free energy functional such that the model can accurately describe the ion transport in complex…
We present an efficient numerical method for simulating the low-energy properties of disordered many-particle systems. The method which is based on the quantum-chemical configuration interaction approach consists in diagonalizing the…
We present a density-matrix rate-equation approach to sequential tunneling through a metal particle weakly coupled to ferromagnetic leads. The density-matrix description is able to deal with correlations between degenerate many-electron…
We propose a local, O(N) molecular dynamics algorithm for the simulation of charged systems. The long ranged Coulomb potential is generated by a propagating electric field that obeys modified Maxwell equations. On coupling the…
The wide use of a speed-independent distance as a cut-off impact parameter together with Rutherford's scattering formula, within the cut-off theory, to account for charge screening in plasma environment embodies a clear inconsistency. A new…
The ionization of atoms by strong, low-frequency fields can generally be described well by assuming that the photoelectron is, after the ionization step, completely at the mercy of the laser field. However, certain phenomena, like the…
We propose a probabilistic way for reducing the cost of classical projection-based model order reduction methods for parameter-dependent linear equations. A reduced order model is here approximated from its random sketch, which is a set of…
Linear kinetic transport equations play a critical role in optical tomography, radiative transfer and neutron transport. The fundamental difficulty hampering their efficient and accurate numerical resolution lies in the high dimensionality…
We propose a method using reduced size of Hilbert space to describe an electron dynamics in molecule and aggregate based on our previous theoretical scheme [ T. Yonehara and T. Nakajima, J. Chem. Phys. \textbf{147}, 074110 (2017) ]. The…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
Nearly all model-reduction techniques project the governing equations onto a linear subspace of the original state space. Such subspaces are typically computed using methods such as balanced truncation, rational interpolation, the…
A general nonperturbative theory of the low-energy electron propagator is developed and used to calculate the single-particle density of states in a variety of systems. This method involves the decoupling of the electron-electron…
The paper proposes an approach for the efficient model order reduction of dynamic contact problems in linear elasticity. Instead of the augmented Lagrangian method that is widely used for mechanical contact problems, we prefer here the…
Deterministically solving charged particle transport problems at a sufficient spatial and angular resolution is often prohibitively expensive, especially due to their highly forward peaked scattering. We propose a model order reduction…
Modelling rarefied gas flow via the Boltzmann equation plays a vital role in many areas. Due to the high dimensionality of this kinetic equation and the coexistence of multiple characteristic scales in the transport processes, conventional…
The Kolmogorov $n$-width of the solution manifolds of transport-dominated problems can decay slowly. As a result, it can be challenging to design efficient and accurate reduced order models (ROMs) for such problems. To address this issue,…
This paper presents a new technique for developing reduced-order models (ROMs) for nonlinear radiative transfer problems in high-energy density physics. The proper orthogonal decomposition (POD) of photon intensities is applied to obtain…
In this paper we present a new quantum-trajectory based treatment of quantum dynamics suitable for dissipative systems. Starting from a de Broglie/Bohm-like representation of the quantum density matrix, we derive and define quantum…
This work discusses the model reduction problem for large-scale multi-symplectic PDEs with cubic invariants. For this, we present a linearly implicit global energy-preserving method to construct reduced-order models. This allows to…
A classical reduced order model (ROM) for dynamical problems typically involves only the spatial reduction of a given problem. Recently, a novel space-time ROM for linear dynamical problems has been developed, which further reduces the…