计算物理
In recent years, the prospects of performing fundamental and applied studies at the next-generation high-intensity laser facilities have greatly stimulated the interest in performing large-scale simulations of laser interaction with matter…
The numerical simulation of fluid flow through a complex geometry with heat transfer is of strong interest for many applications, such as oil-filled power transformers. A fundamental challenge here is that high resolution is necessary to…
Equations of state (EOS) calculated from a computationally efficient atom-in-jellium treatment of the electronic structure have recently been shown to be consistent with more rigorous path integral Monte Carlo (PIMC) and quantum molecular…
The reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of migration barriers in atomistic Kinetic Monte Carlo…
In this paper, we employed a transfer learning technique to predict the Nusselt number for natural convection flows in enclosures. Specifically, we considered the benchmark problem of a two-dimensional square enclosure with isolated…
System identification in scenarios where the observed number of variables is less than the degrees of freedom in the dynamics is an important challenge. In this work we tackle this problem by using a recognition network to increase the…
The normal mode model is one of the most popular approaches for solving underwater sound propagation problems. Among other methods, the finite difference method is widely used in classic normal mode programs. In many recent studies, the…
The goal of this paper is to develop a high order numerical method based on Kinetic Inviscid Flux (KIF) method and Flux Reconstruction (FR) framework. The KIF aims to find a balance between the excellent merits of Gas-Kinetic Scheme (GKS)…
Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…
We present a detailed quasinormal mode analysis of gold bowtie nanoantennas, and highlight the unusual role of the substrate and the onset of multi-mode behaviour. In particular, we show and explain why the directional radiatiave beta…
This is a series of studies devoted to modeling and solving heat and mass transfer problems occurring in electric contacts where we employ and develop mathematical apparatus along with quantum algorithms for solving moving boundary value…
Numerical simulations of plasma flows are crucial for advancing our understanding of microscopic processes that drive the global plasma dynamics in fusion devices, space, and astrophysical systems. Identifying and classifying particle…
Eigenvalue problems are critical to several fields of science and engineering. We present a novel unsupervised neural network for discovering eigenfunctions and eigenvalues for differential eigenvalue problems with solutions that…
Compositional simulation is challenging, because of highly nonlinear couplings between multi-component flow in porous media with thermodynamic phase behavior. The coupled nonlinear system is commonly solved by the fully-implicit scheme.…
Numerical climate- and weather-prediction requires the fast solution of the equations of fluid dynamics. Discontinuous Galerkin (DG) discretisations have several advantageous properties. They can be used for arbitrary domains and support a…
We propose a fast potential splitting Markov Chain Monte Carlo method which costs $O(1)$ time each step for sampling from equilibrium distributions (Gibbs measures) corresponding to particle systems with singular interacting kernels. We…
We investigate the origin of satellite features that appear in the high-resolution x-ray absorption spectra measured at the uranium M 4 edge in compounds where the uranium atoms are in the U 6+ oxidation state. We employ a material-specific…
A new conservative symmetry-preserving second-order time-accurate PISO-based pressure-velocity coupling for solving the incompressible Navier-Stokes equations on unstructured collocated grids is presented in this paper. This new method for…
Recent advances in selected CI, including the adaptive sampling configuration interaction (ASCI) algorithm and its heat bath extension, have made the ASCI approach competitive with the most accurate techniques available, and hence an…
Computational modeling is an important aspect of the research on nuclear waste materials. In particular, atomistic simulations, when used complementary to experimental efforts, contribute to the scientific basis of safety case for nuclear…