相关论文: Electrostatic Point Charge Fitting as an Inverse P…
We consider the Brans-Dicke Reissner-Nordstrom spacetime in isotropic coordinates and the electrostatic field of an electric point charge placed outside its surface of inversion. We treat the static electric point charge as a linear…
Simplified, classical models of water are an integral part of atomistic molecular simulations, especially in biology and chemistry where hydration effects are critical. Yet, despite several decades of effort, these models are still far from…
Interatomic potentials which accurately describe long-range electrostatics require atom-centred charges. One such method to determine these atom-centred charges from density functional theory (DFT) calculations is the density-derived atomic…
The attractive inverse square potential arises in a number of physical problems such as a dipole interacting with a charged wire, the Efimov effect, the Calgero-Sutherland model, near-horizon black hole physics and the optics of Maxwell…
We study the inverse problem of tuning interaction parameters between charged colloidal particles interacting with a hard-core repulsive Yukawa potential, so that they assemble into specified crystal structures. Here, we target the…
We study the static charge correlation function in an one-band model on a square lattice. The Hamiltonian consist of effective hoppings of the electrons between the lattice sites and the Heisenberg Hamiltonian. Approximating the irreducible…
We discuss a large class of conformally invariant curvature energies for immersed hypersurfaces of dimension 4. The class under study includes various examples that have appeared in the recent literature and which arise from different…
(Shortened due to character limit) This thesis consists of two parts. In part I we consider a discrepancy in the derivation of the electromagnetic self force for a point charge. In the point charge framework the self force can be defined as…
Accounting for geometry-induced changes in the electronic distribution in molecular simulation is important for capturing effects such as charge flow, charge anisotropy and polarization. Multipolar force fields have demonstrated their…
Polarizable atoms interacting with a charged wire do so through an inverse-square potential, $V = - g/r^2$. This system is known to realize scale invariance in a nontrivial way and to be subject to ambiguities associated with the choice of…
The Inverse Electrical Impedance Tomography (EIT) problem on recovering electrical conductivity tensor and potential in the body based on the measurement of the boundary voltages on the electrodes for a given electrode current is analyzed.…
In this paper, a core-shell enhanced single particle model for iron-phosphate battery cells is formulated, implemented, and verified. Starting from the description of the positive and negative electrodes charge and mass transport dynamics,…
The convergence of iterative schemes to achieve self-consistency in mean field problems such as the Schr\"odinger-Poisson equation is notoriously capricious. It is particularly difficult in regimes where the non-linearities are strong such…
Electrostatic interactions fundamentally govern the structure, stability, and dynamics of charged (bio)matter, yet the impact of heterogeneous and anisotropic charge distributions on the behavior of protein solutions remains elusive. Here,…
Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…
A smooth path of rearrangement from the body-centered cubic (bcc) to the face-centered cubic (fcc) lattice is obtained by introducing a single parameter to cuboidal lattice vectors. As a result, we obtain analytical expressions in terms of…
In this chapter, we are concerned with inverse optimal control problems, i.e., optimization models which are used to identify parameters in optimal control problems from given measurements. Here, we focus on linear-quadratic optimal control…
We study a model of spinless fermions with infinite nearest-neighbor repulsion on the square ladder which has microscopic supersymmetry. It has been conjectured that in the continuum the model is described by the superconformal minimal…
We study holographic conformal anomalies and the corresponding $a$-theorem for Einstein gravity extended with Horndeski terms that involve up to and including linear curvature tensors. We focus on our discussion in $D=5$ bulk dimensions.…
Logarithmic Conformal Field Theories (LCFT) play a key role, for instance, in the description of critical geometrical problems (percolation, self avoiding walks, etc.), or of critical points in several classes of disordered systems…