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Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable…
A combination of a steady-state preserving operator splitting method and a semi-implicit integration scheme is proposed for efficient time stepping in simulations of unsteady reacting flows, such as turbulent flames, using detailed chemical…
In this study, we develop computational models and methodology for accurate multi-component-flow simulation in under-resolved multi-scale porous structures. It is generally impractical to fully resolve the flow in porous structures with…
We present an efficient and accurate method for simulating massive neutrinos in cosmological structure formation simulations, together with an easy to use public implementation. Our method builds on our earlier implementation of the linear…
We present an $rp$-adaptation strategy for high-fidelity simulation of compressible inviscid flows with shocks. The mesh resolution in regions of flow discontinuities is increased by using a variational optimiser to $r$-adapt the mesh and…
Runko is a new open-source plasma simulation framework implemented in C++ and Python. It is designed to function as an easy-to-extend general toolbox for simulating astrophysical plasmas with different theoretical and numerical models.…
Quantum circuit simulation is a challenging computational problem crucial for quantum computing research and development. The predominant approaches in this area center on tensor networks, prized for their better concurrency and less…
Quantum computational fluid dynamics (QCFD) offers a promising alternative to classical computational fluid dynamics (CFD) by leveraging quantum algorithms for higher efficiency. This paper introduces a comprehensive QCFD method, including…
The aim of this paper is to propose a new numerical model to simulate 2D vesicles interacting with a newtonian fluid. The inextensible membrane is modeled by a chain of circular rigid particles which are maintained in cohesion by using two…
We present the first-ever global simulation of the full Earth system at 1.25 km grid spacing, achieving highest time compression with an unseen number of degrees of freedom. Our model captures the flow of energy, water, and carbon through…
Shell convection driven by nuclear burning in a stellar core is a common hydrodynamic event in the evolution of many types of stars. We encounter and simulate this convection (i) in the helium core of a low-mass red giant during core helium…
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…
We have developed molecular dynamics codes for a short-range interaction potential that adopt both the flat-MPI and MPI/OpenMP hybrid parallelizations on the basis of a full domain decomposition strategy. Benchmark simulations involving up…
VPIC is a general purpose Particle-in-Cell simulation code for modeling plasma phenomena such as magnetic reconnection, fusion, solar weather, and laser-plasma interaction in three dimensions using large numbers of particles. VPIC's…
Quantum computing is transitioning from experimental prototypes to commercially available turnkey systems, making architecture-agnostic performance metrics essential for cross-platform comparison. Peaked Random Circuits (PRCs) have recently…
In this paper, we take the first steps towards a novel unified framework for the analysis of perturbations in both the Time and Frequency domains. The identification of type and source of such perturbations is fundamental for monitoring…
Electromagnetic simulations form an indispensable part of the design and optimization process for superconducting quantum devices. Although several commercial platforms exist, open-source alternatives optimized for high-performance…
The cosmic neutrino background is an important component of the Universe that is difficult to include in cosmological simulations due to the extremely large velocity dispersion of neutrino particles. We develop a new approach to simulate…
We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…
As DNNs are widely adopted in various application domains while demanding increasingly higher compute and memory requirements, designing efficient and performant NPUs (Neural Processing Units) is becoming more important. However, existing…