Computational Physics
We present efficient numerical methods for the simulation of small magnetization oscillations in three-dimensional micromagnetic systems. Magnetization dynamics is described by the Landau-Lifshitz-Gilbert (LLG) equation, linearized in the…
This work focuses on the formulation of a four-equation model for simulating unsteady two-phase mixtures with phase transition and strong discontinuities. The main assumption consists in a homogeneous temperature, pressure and velocity…
Due to their good ratio of stiffness and strength to weight, foam materials find use in lightweight engineering. Though, in many applications like structural bending or tension, the scale separation between macroscopic structure and the…
A numerical study is performed to estimate thermal load on the nozzle base plate, which is in the upstream direction to the flow, from three hot plumes of pure (CO2), (H2O) and 50-50 (%) composition of (CO2) and (H2O) expanding through a…
The concepts and techniques of physics-informed neural networks (PINNs) is studied and limitations are identified to make it efficient to approximate dynamical equations. Potential working research domains are explored for increasing the…
We introduce an algorithm for estimating the entropy of pairwise, probabilistic graph models by leveraging bridges between social communities and an accurate entropy estimator on sparse samples. We propose using a measure of investment from…
Atomic layer deposition allows for precise control over film thickness and conformality. It is a critical enabler of high aspect ratio structures, such as 3D NAND memory, since its self-limiting behavior enables higher conformality than…
We developed a replica exchange method that is effectively parallelizable even if the computational cost of the Monte Carlo moves in the parallel replicas are considerably different, for instance, because the replicas run on different type…
In recent years there has been an increased interest in neural networks, particularly with regard to their ability to approximate partial differential equations. In this regard, research has begun on so-called physics-informed neural…
Quantum mechanics/molecular mechanics (QM/MM) hybrid models allow one to address chemical phenomena in complex molecular environments. Whereas this modeling approach can cope with a large system size at moderate computational costs, the…
Multifidelity simulation methodologies are often used in an attempt to judiciously combine low-fidelity and high-fidelity simulation results in an accuracy-increasing, cost-saving way. Candidates for this approach are simulation…
Viscoelastic material properties at high strain rates are needed to model many biological and medical systems. Bubble cavitation can induce such strain rates, and the resulting bubble dynamics are sensitive to the material properties. Thus,…
In this paper, we developed a new PINN-based model to predict the potential of point-charged particles surrounded by conductive walls. As a result of the proposed physics-informed neural network model, the mean square error and R2 score are…
In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput.…
The experimental studies of the paramagnetic-antiferromagnetic phase transition through M\"{o}ssbauer spectroscopy and measurements of temperature and field dependencies of magnetic susceptibility in the layered Cu$_{0.15}$Fe$_{0.85}$PS$_3$…
Due to the importance of using supercapacitors in electronic storage devices, improving their efficiency is one of the topics that has attracted the attention of many researchers. Choosing the proper electrolyte for supercapacitors is one…
Calculating the thermal diffusivity of solid materials is commonly carried out using the laser flash experiment. This classical experiment considers a small (usually thin disc-shaped) sample of the material with parallel front and rear…
Efficient Green's function evaluation in layered media is a holy-grail of wave theory in general and for electromagnetics in particular. While there is a very large amount of knowledge in this context with vast literature, there are yet…
Yade is an extensible open-source framework for discrete numerical models, focused on the Discrete Element Method. The computation parts are written in c++ using a flexible object model and allowing independent implementation of new…
Alchemical free energy calculations via molecular dynamics have been widely used to obtain thermodynamic properties related to protein-ligand binding and solute-solvent interactions. Although soft-core modeling is the most common approach,…