计算物理
Machine learning (ML) entered the field of computational micromagnetics only recently. The main objective of these new approaches is the automatization of solutions of parameter-dependent problems in micromagnetism such as fast response…
Though the method-of-moments implementation of the electric-field integral equation plays an important role in computational electromagnetics, it provides many code-verification challenges due to the different sources of numerical error. In…
In this paper, we present an open-source multi-resolution and multi-physics library: SPHinXsys (pronunciation: s'finksis) which is an acronym for \underline{S}moothed \underline{P}article \underline{H}ydrodynamics (SPH) for…
High-dimensional optimization is a critical challenge for operating large-scale scientific facilities. We apply a physics-informed Gaussian process (GP) optimizer to tune a complex system by conducting efficient global search. Typical GP…
We extend the physics-informed neural network (PINN) method to learn viscosity models of two non-Newtonian systems (polymer melts and suspensions of particles) using only velocity measurements. The PINN-inferred viscosity models agree with…
OpenSBLI is an open-source code-generation system for compressible fluid dynamics (CFD) on heterogeneous computing architectures. Written in Python, OpenSBLI is an explicit high-order finite-difference solver on structured curvilinear…
Computation of correlated ionic transport properties from molecular dynamics in the Green-Kubo formalism is expensive as one cannot rely on the affordable mean square displacement approach. We use spectral decomposition of the short-time…
Experimental and theoretical studies of laser-induced breakdown in dielectrics provide conflicting conclusions about the possibility to trigger ionization avalanche on the sub-picosecond time scale and the relative importance of…
Parameter reconstruction is a common problem in optical nano metrology. It generally involves a set of measurements, to which one attempts to fit a numerical model of the measurement process. The model evaluation typically involves to solve…
In this paper we present a methodology for data accesses when solving batches of Tridiagonal and Pentadiagonal matrices that all share the same left-hand-side (LHS) matrix. The intended application is to the numerical solution of Partial…
We present the open source micromagnetic framework, MagTense, which utilizes a novel discretization approach of rectangular cuboid or tetrahedron geometry "tiles" to analytically calculate the demagnetization field. Each tile is assumed to…
Directed energy phased array (DEPA) systems have been proposed for novel applications such as beaming optical power for electrical use on remote sensors, rovers, spacecraft and future moon bases, as well as planetary defense against…
The realization that interfacial features play little role in diesel spray vaporization and advection has changed the modus operandi for spray modeling. Lagrangian particle tracking has typically been focused on droplet behavior, with…
Past Lagrangian/Eulerian modeling has served as a poor match for the mixing limited physics present in many sprays. Though these Lagrangian/Eulerian methods are popular for their low cost, they are ill-suited for the physics of the dense…
We present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core units. A performance of over 100 teraFLOPs is achieved for…
Group IV and V monolayers are the promising state-of-the-art 2D materials owing to their high carrier mobility, tunable bandgaps, and optical linear dichroism along with outstanding electronic and thermoelectric properties. Furthermore,…
In this paper, the unified gas-kinetic wave-particle (UGKWP) method is further developed for diatomic gas with the energy exchange between translational and rotational modes for flow study in all regimes. The multiscale transport mechanism…
The explicit semi-Lagrangian method method for solution of Lagrangian transport equations as developed in [Natarajan and Jacobs, Computer and Fluids, 2020] is adopted for the solution of stochastic differential equations that is consistent…
We formulate and implement Helical DFT -- a self-consistent first principles simulation method for nanostructures with helical symmetries. Such materials are well represented in all of nanotechnology, chemistry and biology, and are expected…
The eikonal equation is utilized across a wide spectrum of science and engineering disciplines. In seismology, it regulates seismic wave traveltimes needed for applications like source localization, imaging, and inversion. Several numerical…