Computational Physics
We propose a customized convolutional neural network based autoencoder called a hierarchical autoencoder, which allows us to extract nonlinear autoencoder modes of flow fields while preserving the contribution order of the latent vectors.…
We employ physics-informed neural networks (PINNs) to infer properties of biological materials using synthetic data. In particular, we successfully apply PINNs on inferring the thrombus permeability and visco-elastic modulus from thrombus…
Moire superlattices in van der Waals (vdW) heterostructures could trap strongly bonded and long lived interlayer excitons. Assumed to be localized, these moire excitons could form ordered quantum dot arrays, paving the way for novel…
This work presents a robust and efficient sharp interface immersed boundary (IBM) framework, which is applicable for all-speed flow regimes and is capable of handling arbitrarily complex bodies (stationary or moving). The work deploys an…
I examine the fate of a kinetic Potts ferromagnet with a high ground-state degeneracy that undergoes a deep quench to zero-temperature. I consider single spin-flip dynamics on triangular lattices of linear dimension $8 \le L \le 128$ and…
We present a novel interpretable machine learning model to accurately predict complex rippling deformations of Multi-Walled Carbon Nanotubes(MWCNTs) made of millions of atoms. Atomistic-physics-based models are accurate but computationally…
The free-energy lattice Boltzmann (LB) model is one of the major multiphase models in the LB community. The present study is focused on a class of free-energy LB models in which the divergence of thermodynamic pressure tensor or its…
An immersed interface-lattice Boltzmann method (II-LBM) is developed for modelling fluid-structure systems. The key element of this approach is the determination of the jump conditions that are satisfied by the distribution functions within…
A popular way to accelerate the sampling of rare events in molecular dynamics simulations is to introduce a potential that increases the fluctuations of selected collective variables. For this strategy to be successful, it is critical to…
Frequently, the design of physicochemical processes requires screening of large numbers of alternative designs with complex geometries. These geometries may result in conformal meshes which introduce stability issues, significant…
The high-Tc superconducting (HTS) dynamo is a promising device that can inject large DC supercurrents into a closed superconducting circuit. This is particularly attractive to energise HTS coils in NMR/MRI magnets and superconducting…
A Fourier-based Library of Unbounded Poisson Solvers (FLUPS) for 2D and 3D homogeneous distributed grids is presented. It is designed to handle every possible combination of periodic, symmetric, semi-unbounded and fully unbounded boundary…
The physics-based modeling has been the workhorse for many decades in many scientific and engineering applications ranging from wind power, weather forecasting, and aircraft design. Recently, data-driven models are increasingly becoming…
Ionic polymer-metal composites consist in a thin film of electro-active polymers (Nafion R for example) sandwiched between two metallic electrodes. They can be used as sensors or actuators. The polymer is saturated with water, which causes…
We study and compare different numerical differential equation solvers on the basis of numerical complexity, energy conservation, and stable solution in phase-space for the Simple Harmonic Oscillation (SHM) problem. We conclude and show…
We consider the effects of electron-hole interaction, 2D confinement and applied electric field on direct allowed transitions in III-V semiconductors, with InGaAs as a study case. Instead of Coulomb interaction, we use Gaussian potential.…
The dynamic electron-ion collisions play an important rolein determining the static and transport properties of warmdense matter (WDM). Electron force field (eFF) method is applied to study the ionic transport properties of warm…
In simulations of compressible flows, the conservative finite difference method (FDM) based on the nonlinear upwind schemes, e.g. WENO5, might violate free-stream preserving (FP), due to the loss of the geometric conservation law (GCL)…
Iterative solvers are widely used to accurately simulate physical systems. These solvers require initial guesses to generate a sequence of improving approximate solutions. In this contribution, we introduce a novel method to accelerate…
We propose a novel method for the direct numerical simulation of interfacial flows involving large density contrasts, using a Volume-of-Fluid method. We employ the conservative formulation of the incompressible Navier-Stokes equations for…