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We adopt CUDA-capable Graphic Processing Units (GPUs) for Coulomb, Landau and maximally Abelian gauge fixing in 3+1 dimensional SU(3) lattice gauge field theories. The local overrelaxation algorithm is perfectly suited for highly parallel…
Rapid advancements in artificial intelligence have given rise to transformative models, profoundly impacting our lives. These models demand massive volumes of data to operate effectively, exacerbating the data-transfer bottleneck inherent…
We propose quantum algorithms for complex-valued nonlinear partial differential equations in the strongly nonlinear regime, where the dynamics is governed by vortex cores, phase singularities, and nonlinear vortex interactions. Examples…
This paper presents a GPU-accelerated computational framework for reconstructing high resolution (HR) LF images under a mixed Gaussian-Impulse noise condition. The main focus is on developing a high-performance approach considering…
We present the development and implementation of the relativistic coupled cluster linear response theory (CC-LR) which allows the determination of molecular properties arising from time-dependent or time-independent electric, magnetic, or…
Turbulent flows and fluid-structure interactions (FSI) are ubiquitous in scientific and engineering applications, but their accurate and efficient simulation remains a major challenge due to strong nonlinearities, multiscale interactions,…
The role of the surface during polarization switching in constrained ferroelectrics is investigated using the time-dependent Ginzburg-Landau theory. The model incorporates the elastic and electrostrictive effects in the form of a long-range…
An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled,…
We explore the industrial and scientific applicability of the VQE-LSTM framework by integrating meta-learning with GPU accelerated quantum simulation using NVIDIA's CUDA-Q (CUDAQ) platform. This work demonstrates how an LSTM-FC…
Following the recent demonstration of grazing-incidence X-ray fluorescence (GIXRF) based characterization of the 3D atomic distribution of different elements and dimensional parameters of periodic nanoscale structures, this work presents a…
Interfacial ferroelectricity offers a promising platform for ultrafast, low-power memory devices. While previous studies have demonstrated the importance of domain wall in polarization switching, the coexistence of various domain wall types…
Modern heterogeneous high-performance computing (HPC) systems powered by advanced graphics processing unit (GPU) architectures enable accelerating computing with unprecedented performance and scalability. Here, we present a GPU-accelerated…
The rapid evolution of quantum computing hardware opens up new avenues in the simulation of energy materials. Today's quantum annealers are able to tackle complex combinatorial optimization problems. A formidable challenge of this type is…
Magnetization dynamics in ferromagnetic materials is modeled by the Landau-Lifshitz (LL) equation, a nonlinear system of partial differential equations. Among the numerical approaches, semi-implicit schemes are widely used in the…
The phase-field method has emerged as a powerful tool for simulating fracture mechanics, yet it presents significant numerical challenges, particularly regarding the enforcement of physical constraints such as irreversibility and…
The design of gaseous detectors for accelerator, particle and nuclear physics requires simulations relying on multi-physics aspects. In fact, these simulations deal with the dynamics of a large number of charged particles interacting in a…
Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…
Combination of local heating and biasing at the tip-surface junction in temperature-assisted piezoresponse force microscopy (tPFM) opens the pathway for probing local temperature induced phase transitions in ferroics, exploring the…
We present a GPU-friendly framework for real-time implicit simulation of elastic material in the presence of frictional contacts. The integration of hyperelasticity, non-interpenetration contact, and friction in real-time simulations…
The discovery of two-dimensional (2D) ferroelectrics with switchable out-of-plane polarization such as monolayer $\alpha$-In$_2$Se$_3$ offers a new avenue for ultrathin high-density ferroelectric-based nanoelectronics such as ferroelectric…