Computational Physics
This study compares calibration strategies for predicting particle velocity in granular sugar subjected to weak shock loading, using measurements from flyer-plate impact experiments as a benchmark. Two computational approaches are…
Numerical simulations of physical systems exhibit discrepancies arising from unmodeled physics and idealizations, as well as numerical approximation errors stemming from discretization and solver tolerances. This article reviews techniques…
A numerical algorithm is proposed to deal with parametric eigenvalue problems involving non-Hermitian matrices and is exploited to find location of defective eigenvalues in the parameter space of non-Hermitian parametric eigenvalue…
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…
We study parameter estimation for the transport coefficients of the quark-gluon plasma by differentiating open-quantum-system-based Monte Carlo simulations of quarkonium suppression. The underlying simulator requires solving a Lindblad…
Physics-informed neural networks (PINNs) have been applied to simulate multiphase flows, yet they are limited in modeling phase changes and sharp interfaces due to optimization conflicts in the strongly coupled Allen-Cahn, Cahn-Hilliard,…
Heat-flux boundary conditions are challenging to implement efficiently in rarefied gas flow simulations because the wall-reflected gas temperature and density must be determined dynamically during the computation. This paper aims to tackle…
Although the classification of crystalline materials can be generally handled by momentum-space-based approaches, topological classification of aperiodic materials remains an outstanding challenge, as the absence of translational symmetry…
The replica-exchange Monte-Carlo (RXMC) method is a powerful Markov-chain Monte-Carlo algorithm for sampling from multi-modal distributions, which are challenging for conventional methods. The sampling efficiency of the RXMC method depends…
We investigate the impact of magnetic-field-induced feedback on the dynamics of a Hindmarsh-Rose neuron model exhibiting a blue-sky catastrophe. By introducing a magnetic flux variable that couples nonlinearly to the membrane potential, we…
The exploration of quantum phenomena in complex materials such as moir\'e superlattices is limited by the O(N^3) scaling of conventional electronic structure methods. Here we introduce a high-performance tight-binding framework that reduces…
We propose a novel level set-based topology optimization for micropolar solids subjected to thermo-mechanical loading. To capture the size effects, we have incorporated the microstructural length-scale information into the level set-based…
Foundation models trained as autoregressive PDE surrogates hold significant promise for accelerating scientific discovery through their capacity to both extrapolate beyond training regimes and efficiently adapt to downstream tasks despite a…
We propose an effective explicit numerical scheme for simulating solutions of stochastic differential equations with confining superlinear drift terms, driven by multiplicative heavy-tailed L\'evy noise. The scheme is designed to prevent…
Self-assembled monolayers of polyalanine $\alpha$-helices exhibit distinct structural phases with implications for chiral-induced spin selectivity. We combine scanning tunneling microscopy and theoretical modeling to reveal how chiral…
Maxwell's equations, a system of linear partial differential equations (PDEs), describe the behavior of electric and magnetic fields in time and space and are essential for many important electromagnetic applications. Although numerical…
Conjugate scalar transport with interfacial jump conditions on complex interfacial geometries is common in thermal and chemical processes, while its accurate and efficient simulations are still quite challenging. In the present study, a…
This paper introduces a Particle Flow Map Level Set (PFM-LS) method for high-fidelity interface tracking. We store level-set values, gradients, and Hessians on particles concentrated in a narrow band around the interface, advecting them via…
This tutorial paper shows how to compute the DC (or low-frequency) resistance, inductance and capacitance of a pair of parallel wires using the finite element method. A three-dimensional infinite domain (open boundary) modeling of…
High-energy laser facilities such as PHELIX at GSI require excellent beam pointing stability for reproducibility and relative independence for future experiments. Beam pointing stability has been traditionally achieved using simple…