相关论文: Energy-based ghost force removing techniques for t…

We formulate the blended force-based quasicontinuum (BQCF) method for multilattices and develop rigorous error estimates in terms of the approximation parameters: atomistic region, blending region and continuum finite element mesh.…

Quantum correlations become formidable tools for beating classical capacities of measurement. Preserving these advantages in practical systems, where experimental imperfections are unavoidable, is a challenge of the utmost importance. Here…

Lattice networks are indispensable to study heterogeneous materials such as concrete or rock as well as textiles and woven fabrics. Due to the discrete character of lattices, they quickly become computationally intensive. The QuasiContinuum…

Quantum computers are growing in size, and design decisions are being made now that attempt to squeeze more computation out of these machines. In this spirit, we design a method to boost the computational power of near-term quantum…

A physical system exposes to us in a real space, while its description often refers to its reciprocal momentum space. A connection between them can be established by exploring patterns of quasiparticles interference (QPI), which is…

We present two quantum interior point methods for semidefinite optimization problems, building on recent advances in quantum linear system algorithms. The first scheme, more similar to a classical solution algorithm, computes an inexact…

In this article, a quasi-sliding mode control (QSMC) based on MPC is proposed for the constrained continuous-time nonlinear system with external disturbances. The MPC problem is formulated relating to the design of QSMC, to generate the…

This work discusses the Improved Matrix Method and Weighted Residual Method for studying the quasinormal modes (QNMs) of black holes. In the first method, by utilizing Jordan decomposition, the improved matrix method avoids the calculation…

Measuring the quantum efficiency (QE) map of a photocathode injector typically requires laser scanning, an invasive operation that involves modifying the injector laser focus and rastering the focused laser spot across the photocathode…

Quantum embedding is an appealing route to fragment a large interacting quantum system into several smaller auxiliary `cluster' problems to exploit the locality of the correlated physics. In this work we critically review approaches to…

We propose a local regional chemical potential (RCP) analysis method based on an energy window scheme to quantitatively estimate the selectivity of atomic and molecular adsorption on surfaces, as well as the strength of chemical bonding…

We present a class of nonconforming virtual element methods for general fourth order partial differential equations in two dimensions. We develop a generic approach for constructing the necessary projection operators and virtual element…

In this paper, we present and analyze a posteriori error estimates in the energy norm of a quadratic finite element method for the frictionless unilateral contact problem. The reliability and the efficiency of a posteriori error estimator…

We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QC-AFQMC) framework, enabling accurate nuclear force computations crucial for geometry optimization and reaction dynamics. Stochastic…

QM/MM hybrid methods employ accurate quantum (QM) models only in regions of interest (defects) and switch to computationally cheaper interatomic potential (MM) models to describe the crystalline bulk. We develop two QM/MM hybrid methods for…

In this work, we analyse the links between ghost penalty stabilisation and aggregation-based discrete extension operators for the numerical approximation of elliptic partial differential equations on unfitted meshes. We explore the behavior…

We present and analyze three distinct semi-discrete schemes for solving nonlocal geometric flows incorporating perimeter terms. These schemes are based on the finite difference method, the finite element method, and the finite element…

A methodology for handling block-to-block coupling of nonconforming, multiblock summation-by-parts finite difference methods is proposed. The coupling is based on the construction of projection operators that move a finite difference grid…

The locally modified finite element method, which is introduced in [Frei, Richter: SINUM 52(2014), p. 2315-2334], is a simple fitted finite element method that is able to resolve weak discontinuities in interface problems. The method is…

We design a Mixed Virtual Element Method for the approximated solution to the first-order form of the acoustic wave equation. In absence of external load, the semi-discrete method exactly conserves the system energy. To integrate in time…