相关论文: Energy-based ghost force removing techniques for t…
Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…
We propose a new nonconforming finite element method for solving Stokes interface problems. The method is constructed on local anisotropic mixed meshes, which are generated by fitting the interface through simple connection of intersection…
We propose Greedy Topology-Aware Quantum Circuit Partitioning (GTQCP), a novel quantum gate circuit partitioning method which partitions circuits by applying a greedy heuristic to the qubit dependency graph of the circuit. GTQCP is compared…
For large-scale eigenvalue problems requiring many mutually orthogonal eigenvectors, traditional numerical methods suffer substantial computational and communication costs with limited parallel scalability, primarily due to explicit…
We present two complementary approaches for determining the reference for the covariant Hamiltonian boundary term quasi-local energy and test them on spherically symmetric spacetimes. On the one hand, we isometrically match the 2-surface…
Quasiperiodic systems are important space-filling ordered structures, without decay and translational invariance. How to solve quasiperiodic systems accurately and efficiently is of great challenge. A useful approach, the projection method…
We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Ortner and Van Koten (manuscript) to derive optimal…
We propose a finite difference method to solve Maxwell's equations in time domain in the presence of a perfect electric conductor that impedes the propagations of electromagnetic waves. Our method is a modification of the existing approach…
The efficient and accurate simulation of material systems with defects using atomistic- to-continuum (a/c) coupling methods is a topic of considerable interest in the field of computational materials science. To achieve the desired balance…
Full-wave numerical methods based on quasinormal modes (QNMs) offer valuable physical insights and computational efficiency for analyzing electromagnetic resonators. However, despite their advantages, many researchers in electromagnetism…
Force-based multiphysics coupling methods have become popular since they provide a simple and efficient coupling mechanism, avoiding the difficulties in formulating and implementing a consistent coupling energy. They are also the only known…
In this paper, we investigate a special class of quadratic-constrained quadratic programming (QCQP) with semi-definite constraints. Traditionally, since such a problem is non-convex and N-hard, the neural network (NN) is regarded as a…
It is vital to minimise the impact of errors for near-future quantum devices that will lack the resources for full fault tolerance. Two quantum error mitigation (QEM) techniques have been introduced recently, namely error extrapolation…
Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…
We consider a large-scale quadratic eigenvalue problem (QEP), formulated using P1 finite elements on a fine scale reference mesh. This model describes damped vibrations in a structural mechanical system. In particular we focus on problems…
Quasiparticle interference imaging (QPI) provides a route to characterize electronic structure from real space images acquired using scanning tunneling microscopy. It emerges due to scattering of electrons at defects in the material. The…
We present a new numerical technique to solve large-scale eigenvalue problems. It is based on the projection technique, used in strongly correlated quantum many-body systems, where first an effective approximate model of smaller complexity…
Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…
We study cut finite element discretizations of a Darcy interface problem based on the mixed finite element pairs $\textbf{RT}_k\times Q_k$, $k\geq 0$. Here $Q_k$ is the space of discontinuous polynomial functions of degree less or equal to…
A quasi-local energy for Einstein's general relativity is defined by the value of the preferred boundary term in the covariant Hamiltonian formalism. The boundary term depends upon a choice of reference and a time-like displacement vector…