相关论文: Implementation of the H-$\phi$ formulation in COMS…

The authors have shown in previous contributions that reduced order modeling with optimal cubature applied to finite element square (FE2) techniques results in a reliable and affordable multiscale approach, the HPR-FE2 technique. Such…

We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…

We construct product formulas for exponentials of commutators and explore their applications. First, we directly construct a third-order product formula with six exponentials by solving polynomial equations obtained using the operator…

A multi-product formula (MPF) is a promising approach for Hamiltonian simulation efficiently both in the system size $N$ and the inverse allowable error $1/\varepsilon$ by combining Trotterization and the linear combination of unitaries…

We extend the applicability range of fermionic path integral Monte Carlo simulations to heavier elements and lower temperatures by introducing various localized nodal surfaces. Hartree-Fock nodes yield the most accurate prediction for…

Electrical machines employing superconductors are attractive solutions in a variety of application domains. Numerical models are powerful and necessary tools to optimize their design and predict their performance. The electromagnetic…

Multiphysics simulations play an essential role in accurately modeling complex interactions across diverse scientific and engineering domains Although neural operators especially the Fourier Neural Operator FNO have significantly improved…

This work provides a rigorous and self-contained introduction to numerical methods for Hamiltonian simulation in quantum computing, with a focus on high-order product formulas for efficiently approximating the time evolution of quantum…

We consider the Vlasov-Poisson equation in a Hamiltonian framework and derive new time splitting methods based on the decomposition of the Hamiltonian functional between the kinetic and electric energy. Assuming smoothness of the solutions,…

High-order bases provide major advantages over linear ones in terms of efficiency, as they provide (for the same physical model) higher accuracy for the same running time, and reliability, as they are less affected by locking artifacts and…

We use the recently-developed Heat-bath Configuration Interaction (HCI) algorithm as an efficient active-space solver to perform multi-configuration self-consistent field calculations (HCISCF) with large active spaces. We give a detailed…

A common factor across electromagnetic methodologies of brain stimulation is the optimization of essential dosimetry parameters, like amplitude, phase, and location of one or more transducers, which controls the stimulation strength and…

Magnetic quadrupoles are essential components of particle accelerators like the Large Hadron Collider. In order to study numerically the stability of the particle beam crossing a quadrupole, a large number of particle revolutions in the…

Hybrid particle-field molecular dynamics combines standard molecular potentials with density-field models into a computationally efficient methodology that is well-adapted for the study of mesoscale soft matter systems. Here, we introduce a…

Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…

Magnetic materials are typically described in terms of the Heisenberg model, which provides an accurate account of thermodynamic properties when combined with first principles calculations. This approach is usually based on an energy…

We demonstrate a novel setup for hybrid particle-in-cell simulations designed to isolate the physics of the shock precursor over long time periods for significantly lower computational cost than previous methods. This is achieved using a…

Topological materials (TMs) are well-known for their topological protected properties. Phononic system has the advantage of direct observation and engineering of topological phenomena on the macroscopic scale. For the inverse design of 3D…

Quasi-Helmholtz decompositions are fundamental tools in integral equation modeling of electromagnetic problems because of their ability of rescaling solenoidal and non-solenoidal components of solutions, operator matrices, and radiated…

This paper proposes an adaptive hyper-reduction method to reduce the computational cost associated with the simulation of parametric particle-based kinetic plasma models, specifically focusing on the Vlasov-Poisson equation. Conventional…