Related papers: A Projection-based Reduced-order Method for Electr…
We suggest a new approach for transport through finite systems based on the Liouville equation. By working in a basis of many-particle states for the finite system, Coulomb interactions are taken fully into account and correlated…
Based on a method developed earlier for a finite-dimensional mechanical system, the problem of path integral reduction for scalar electrodynamics is considered. Using the Coulomb gauge, the stochastic differential equations for the reduced…
The transport approach is a useful tool to study dynamics of non-equilibrium systems. For heavy-ion collisions at intermediate energies, where both the smooth nucleon potential and the hard-core nucleon-nucleon collision are important, the…
In this work, we construct a novel numerical method for solving the multi-marginal optimal transport problems with Coulomb cost. This type of optimal transport problems arises in quantum physics and plays an important role in understanding…
In this paper we propose a Bayesian method as a numerical way to correct and stabilise projection-based reduced order models (ROM) in computational fluid dynamics problems. The approach is of hybrid type, and consists of the classical…
Generally, reduced order models of fluid flows are obtained by projecting the Navier-Stokes equations onto a reduced subspace spanned by vector functions that carry the meaningful information of the dynamics. A common method to generate…
Two comprehensive approaches are considered for constructing projection-based reduced-order computational models for linear dynamical systems. The first one reduces the governing equations written in the descriptor form, using a Galerkin or…
In the construction of reduced-order models for dynamical systems, linear projection methods, such as proper orthogonal decompositions, are commonly employed. However, for many dynamical systems, the lower dimensional representation of the…
Reduced-order modeling techniques, including balanced truncation and $\mathcal{H}_2$-optimal model reduction, exploit the structure of linear dynamical systems to produce models that accurately capture the dynamics. For nonlinear systems…
We develop a quantum kinetic theory of two-dimensional electron gases in which exchange is treated self-consistently at the Hartree-Fock level and enters as a nonlocal, momentum-dependent field in phase space. By starting from the Coulomb…
The reduced dynamics formalism has recently emerged as a powerful tool to study the dynamics of non-equilibrium quantum impurity models in strongly correlated regimes. Examples include the non-equilibrium Anderson impurity model near the…
We introduce a formalism to describe fractional charging of a molecule due to interactions with its environment. The interactions which induce fractional charging are contained in the Hamiltonian of the full system (molecule and…
Low-rank tensor approximation approaches have become an important tool in the scientific computing community. The aim is to enable the simulation and analysis of high-dimensional problems which cannot be solved using conventional methods…
Reduced order modeling has gained considerable attention in recent decades owing to the advantages offered in reduced computational times and multiple solutions for parametric problems. The focus of this manuscript is the application of…
We lay out the extension of range-separated density-functional theory to a four-component relativistic frame-work using a Dirac-Coulomb-Breit Hamiltonian in the no-pair approximation. This formalism combines a wave-function method for the…
We present a model for electron-ion transport in Warm Dense Matter that incorporates Coulomb coupling effects into the quantum Boltzmann equation of Uehling and Uhlenbeck through the use of a statistical potential of mean force. Although…
We study interaction corrections to the thermoelectric transport coefficient $\alpha$ and the thermopower $S$ in the two-dimensional disordered electron gas with long-range Coulomb interactions. To this end, we analyze the heat…
By viewing the non-equilibrium transport setup as a quantum open system, we propose a reduced-density-matrix based quantum transport formalism. At the level of self-consistent Born approximation, it can precisely account for the correlation…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
This paper explores an iterative coupling approach to solve linear thermo-poroelasticity problems, with its application as a high-fidelity discretization utilizing finite elements during the training of projection-based reduced order…