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Designing large-scale geological carbon capture and storage projects and ensuring safe long-term CO2 containment - as a climate change mitigation strategy - requires fast and accurate numerical simulations. These simulations involve solving…

Mathematical Software · Computer Science 2023-04-25 Ryuichi Sai , Mathias Jacquelin , François P. Hamon , Mauricio Araya-Polo , Randolph R. Settgast

We have developed a hypersonic high-order, high-performance code (H$^3$PC) utilizing the ``Trixi.jl" framework in order to simulate both non-reactive and chemically reactive compressible Euler and Navier-Stokes equations for complex…

Computational Physics · Physics 2025-11-25 Ahmad Peyvan , Khemraj Shukla , George Em Karniadakis

Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the…

Chemical Physics · Physics 2016-10-18 R. Qiao , P. He

Theoretical predictions in high energy physics are routinely provided in the form of Monte Carlo generators. Comparisons of predictions from different programs and/or different initialization set-ups are often necessary. MC-TESTER can be…

High Energy Physics - Phenomenology · Physics 2011-01-17 N. Davidson , P. Golonka , T. Przedzinski , Z. Was

Over recent years heterogeneous systems have become more prevalent across HPC systems, with over 100 supercomputers in the TOP500 incorporating GPUs or other accelerators. These hardware platforms have different performance characteristics…

Performance · Computer Science 2019-04-11 John Lawson , Mehdi Goli , Duncan McBain , Daniel Soutar , Louis Sugy

In this work, we present a novel MPC-integrated multiphase IB framework that can compute the optimal energy-maximizing control force on-the-fly by dynamically interacting with a high-fidelity numerical wave tank (NWT). Due to the…

Fluid Dynamics · Physics 2022-08-01 Kaustubh Khedkar , Amneet Pal Singh Bhalla

Hybrid AI-HPC workflows combine large-scale simulation, training, high-throughput inference, and tightly coupled, agent-driven control within a single execution campaign. These workflows impose heterogeneous and often conflicting…

Automating complex industrial robots requires precise nonlinear control and efficient energy management. This paper introduces a data-driven nonlinear model predictive control (NMPC) framework to optimize control under multiple objectives.…

Robotics · Computer Science 2024-11-22 Dexian Ma , Bo Zhou

Generation of random thermal particle momenta is a basic task in many problems, such as microscopic studies of equilibrium and transport properties of systems, or the conversion of a fluid to particles. In heavy-ion physics, the…

Nuclear Theory · Physics 2012-12-11 Denes Molnar

Model predictive control (MPC) of hybrid dynamical systems is challenging because the associated optimization problem is nonsmooth and the resulting feedback law is discontinuous. This paper develops real-time MPC algorithms for nonlinear…

Optimization and Control · Mathematics 2026-04-21 Armin Nurkanović , Anton Pozharskiy , Moritz Diehl

Molecular dynamics simulations yield large amounts of trajectory data. For their durable storage and accessibility an efficient compression algorithm is paramount. State of the art domain-specific algorithms combine quantization, Huffman…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-01-13 Jan Huwald , Stephan Richter , Peter Dittrich

Modelling of multivariate densities is a core component in many signal processing, pattern recognition and machine learning applications. The modelling is often done via Gaussian mixture models (GMMs), which use computationally expensive…

Mathematical Software · Computer Science 2018-05-10 Conrad Sanderson , Ryan Curtin

To reach carbon neutrality in the middle of this century, smart controls for building energy systems are urgently required. Model predictive control (MPC) demonstrates great potential in improving the performance of heating ventilation and…

Systems and Control · Electrical Eng. & Systems 2024-02-15 Lu Wan , Xiaobing Dai , Torsten Welfonder , Ekaterina Petrova , Pieter Pauwels

To efficiently deploy robotic systems in society, mobile robots must move autonomously and safely through complex environments. Nonlinear model predictive control (MPC) methods provide a natural way to find a dynamically feasible trajectory…

Smoothed Particle Hydrodynamics (SPH) methods are advantageous in simulations of fluids in domains with free boundary. Special SPH methods have also been developed to simulate solids. However, there are situations where the matter behaves…

Fluid Dynamics · Physics 2024-01-18 Ondřej Kincl , Ilya Peshkov , Michal Pavelka , Václav Klika

Rapid advances in quantum computing technology lead to an increasing need for software simulators that enable both algorithm design and the validation of results obtained from quantum hardware. This includes calculations that aim at probing…

Quantum Physics · Physics 2025-01-09 Amit Jamadagni , Andreas M. Läuchli , Cornelius Hempel

Hyperdimensional Computing (HDC), a technique inspired by cognitive models of computation, has been proposed as an efficient and robust alternative basis for machine learning. HDC programs are often manually written in low-level and target…

Model Predictive Control (MPC) is among the most widely adopted and reliable methods for robot control, relying critically on an accurate dynamics model. However, existing dynamics models used in the gradient-based MPC are limited by…

Robotics · Computer Science 2025-08-11 Jan Węgrzynowski , Piotr Kicki , Grzegorz Czechmanowski , Maciej Krupka , Krzysztof Walas

Fully realizing the potential of multigrid solvers often requires custom algorithms for a given application model, discretizations and even regimes of interest, despite considerable effort from the applied math community to develop fully…

Plasma Physics · Physics 2023-02-22 Mark F. Adams , Matthew K. Knepley

The recent evolution of software and hardware technologies is leading to a renewed computational interest in Particle-In-Cell (PIC) methods such as the Material Point Method (MPM). Indeed, provided some critical aspects are properly…

Computational Physics · Physics 2024-12-11 Paolo Joseph Baioni , Tommaso Benacchio , Luigi Capone , Carlo de Falco