Related papers: Energy-based ghost force removing techniques for t…
Tachyon condensation in quantum field theory (QFT) plays a central role in models of fundamental interactions and cosmology. Inspired by tower truncation in string field theory, ultraviolet completions were proposed with infinite-derivative…
Quasicentroid molecular dynamics (QCMD) is a path-integral method for approximating nuclear quantum effects in dynamics simulations, which has given promising results for gas- and condensed-phase water. Here, by simulating the infrared…
To mitigate the substantial computational costs associated with modeling the mechanical behavior of large-scale architected lattice structures, this work introduces a concurrent multiscale approach: the Generalized Non-local Quasicontinuum…
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…
We present a variant of the recently developed quantum corrected model (QCM) for plasmonic nanoparticles [Nature Commun. 3, 825 (2012)] using non-local boundary conditions. The QCM accounts for electron tunneling in narrow gap regions of…
We investigate a quasicontinuum method by means of analytical tools. More precisely, we compare a discrete-to-continuum analysis of an atomistic one-dimensional model problem with a corresponding quasicontinuum model. We consider next and…
With the advent of gravitational wave detectors employing squeezed light, quantum waveform estimation---estimating a time-dependent signal by means of a quantum-mechanical probe---is of increasing importance. As is well known, backaction of…
In this paper we construct energy based numerical methods free of ghost forces in three dimensional lattices arising in crystalline materials. The analysis hinges on establishing a connection of the coupled system to conforming finite…
For a next-nearest neighbour pair interaction model in a periodic domain, a priori and a posteriori analyses of the quasinonlocal quasicontinuum method (QNL-QC) are presented. The results are valid for large deformations and essentially…
QCDFT is a multiscale modeling approach that can simulate multi-million atoms effectively via density functional theory (DFT). The method is based on the framework of quasicontinuum (QC) approach with DFT as its sole energetics formulation.…
We present a comprehensive error analysis of two prototypical atomistic-to-continuum coupling methods of blending type: the energy-based and the force-based quasicontinuum methods. Our results are valid in two and three dimensions, for…
Magic is a non-classical resource whose efficient manipulation is fundamental to advancing efficient and scalable fault-tolerant quantum computing. Quantum advantage is possible only if both magic and entanglement are present. Of particular…
Lattice networks with dissipative interactions can be used to describe the mechanics of discrete meso-structures of materials such as 3D-printed structures and foams. This contribution deals with the crack initiation and propagation in such…
The iterative qubit coupled cluster (iQCC) method is a systematic variational approach to solve the electronic structure problem on universal quantum computers. It is able to use arbitrarily shallow quantum circuits at expense of iterative…
We introduce an unfitted Nitsche finite element method with a new ghost-penalty stabilization based on local projection of the solution gradient. The proposed ghost-penalty operator is straightforward to implement, ensures algebraic…
We propose a new nonconforming \(P_1\) finite element method for elliptic interface problems. The method is constructed on a locally anisotropic mixed mesh, which is generated by fitting the interface through a simple connection of…
We explore recent advancements in the understanding and manipulation of vacuum energy in quantum physics, with a focus on the quantum energy teleportation (QET) protocol. Traditional QET protocols extract energy from what we refer to as a…
Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials…
Aussel et al. (J Optim Theory Appl 170 818-837 2016) introduced the concept of projected solutions for the quasi-variational inequalities with a non-self constraint map, that is, the case where the constraint map may take values outside the…
In this paper, we present and analyze an unfitted finite element method for the elliptic interface problem. We consider the case that the interface is $C^2$-smooth or polygonal, and the exact solution $u \in H^{1+s}(\Omega_0 \cup \Omega_1)$…