相关论文: Planewave density interpolation methods for the EF…
We present a new efficient way to perform hybrid density functional theory (DFT) based electronic structure calculation. The new method uses an interpolative separable density fitting (ISDF) procedure to construct a set of numerical…
A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…
This paper presents a computationally efficient framework for identifying resonance modes of 3D radio-frequency (RF) cavities with damping waveguide ports. The proposed framework relies on surface integral equation (IE) formulations to…
Implicit shape representation, such as SDFs, is a popular approach to recover the surface of a 3D shape as the level sets of a scalar field. Several methods approximate SDFs using machine learning strategies that exploit the knowledge that…
Immersed boundary methods are high-order accurate computational tools used to model geometrically complex problems in computational mechanics. While traditional finite element methods require the construction of high-quality boundary-fitted…
Perfect Electric Conductors (PECs) are imaged integrating the subspace-based optimizationmethod (SOM) within the iterative multi-scaling scheme (IMSA). Without a-priori information on the number or/and the locations of the scatterers and…
Integral equations frequently arise in surface science, and in some cases, they must be treated as inverse problems. In our previous work on optical tweezers, atomic force microscopy, and surface force measurement apparatus, we performed…
Edema is a potential indicator of underlying pathological changes. However, its low-contrast signature is often masked in conventional B-mode imaging by strong scatterers, making reliable detection challenging. Ultrasound (US) provides a…
An accurate and fast method is presented for scattering of electromagnetic waves from an array of time-modulated graphene ribbons. We derive a time-domain integral equation for induced surface currents under subwavelength approximation.…
We have investigated the conditions necessary to achieve stronger Cherenkov-like instability of plasma waves leading to emission in the terahertz (THz) regime for semiconductor quantum wells (QWs). The surface response function is…
We demonstrate a method for filtering images defined on curved surfaces embedded in 3D. Applications are noise removal and the creation of artistic effects. Our approach relies on in-surface diffusion: we formulate Weickert's edge/coherence…
This paper introduces an efficient approach for solving the Electric Field Integral Equation (EFIE) with high-order accuracy by explicitly enforcing the continuity of the impressed current densities across boundaries of the surface patch…
In this contribution, a discretisation of the IBC EFIE is introduced that (i) yields the correct solution at arbitrarily small frequencies, (ii) requires for its solution a number of matrix vector products bounded as the frequency tends to…
The oversampling multiscale finite element method (MsFEM) is one of the most popular methods for simulating composite materials and flows in porous media which may have many scales. But the method may be inapplicable or inefficient in some…
Full waveform inversion (FWI) requires an accurate estimation of source signatures. Due to the coupling between the source signatures and the subsurface model, small errors in the former can translate into large errors in the latter. When…
A time domain electric field volume integral equation (TD-EFVIE) solver is proposed for analyzing electromagnetic scattering from dielectric objects with Kerr nonlinearity. The nonlinear constitutive relation that relates electric flux and…
We develop a structure-preserving computational framework for acoustic wave scattering by moving objects, comprising a new PML-domain-embedding model and a compatible numerical approximation. The model couples a perfectly matched layer…
A stable volume integral equation (VIE) solver based on polarization/magnetization currents is presented, for the accurate and efficient computation of the electromagnetic scattering from highly inhomogeneous and high contrast objects.We…
We develop a boundary integral equation-based numerical method to solve for the electrostatic potential in two dimensions, inside a medium with piecewise constant conductivity, where the boundary condition is given by the complete electrode…
The commutator direct inversion of the iterative subspace (commutator DIIS or C-DIIS) method developed by Pulay is an efficient and the most widely used scheme in quantum chemistry to accelerate the convergence of self consistent field…