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We present a hybrid numerical approach to simulate quantum many body problems on two spatial dimensional quantum lattice models via the non-Abelian ab initio version of the density matrix renormalization group method on state-of-the-art…
The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…
Particle-in-Cell (PIC) Monte Carlo (MC) simulations are central to plasma physics but face increasing challenges on heterogeneous HPC systems due to excessive data movement, synchronization overheads, and inefficient utilization of multiple…
This article presents new algorithms for massively parallel granular dynamics simulations on distributed memory architectures using a domain partitioning approach. Collisions are modelled with hard contacts in order to hide their…
Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that…
We present a multi-purpose genetic algorithm, designed and implemented with GPGPU / CUDA parallel computing technology. The model was derived from a multi-core CPU serial implementation, named GAME, already scientifically successfully…
We study parallel particle-in-cell (PIC) methods for low-temperature plasmas (LTPs), which discretize kinetic formulations that capture the time evolution of the probability density function of particles as a function of position and…
We present scalable hybrid-parallel algorithms for training large-scale 3D convolutional neural networks. Deep learning-based emerging scientific workflows often require model training with large, high-dimensional samples, which can make…
While the advances in synchrotron light sources, together with the development of focusing optics and detectors, allow nanoscale ptychographic imaging of materials and biological specimens, the corresponding experiments can yield…
This study explores the capabilities of WebGPU, an emerging web graphics paradigm, for real-time cloth simulation. Traditional WebGL-based methods have been in handling complex physical simulations due to their emphasis on graphics…
Cutting-edge embedded system applications, such as self-driving cars and unmanned drone software, are reliant on integrated CPU/GPU platforms for their DNNs-driven workload, such as perception and other highly parallel components. In this…
Multilevel modeling is increasingly relevant in the context of modelling and simulation since it leads to several potential benefits, such as software reuse and integration, the split of semantically separated levels into sub-models, the…
The Poisson-Fermi model is an extension of the classical Poisson-Boltzmann model to include the steric and correlation effects of ions and water treated as nonuniform spheres in aqueous solutions. Poisson-Boltzmann electrostatic…
Simulations of systems with quenched disorder are extremely demanding, suffering from the combined effect of slow relaxation and the need of performing the disorder average. As a consequence, new algorithms, improved implementations, and…
This paper presents the Parallel Coupler for Multimodel Simulations (PCMS), a new GPU accelerated generalized coupling framework for coupling simulation codes on leadership class supercomputers. PCMS includes distributed control and field…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
With the development of artificial intelligence techniques, transportation system optimization is evolving from traditional methods relying on expert experience to simulation and learning-based decision and optimization methods.…
Understanding how people view and interact with autonomous vehicles is important to guide future directions of research. One such way of aiding understanding is through simulations of virtual environments involving people and autonomous…
The rapidly growing popularity and scale of data-parallel workloads demand a corresponding increase in raw computational power of GPUs (Graphics Processing Units). As single-GPU systems struggle to satisfy the performance demands, multi-GPU…
A computer simulation has to be fast to be helpful, if it is employed to study the behavior of a multicomponent dynamic system. This paper discusses modeling concepts and algorithmic techniques useful for creating such fast simulations.…