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Due to the diversity of fuel cycle simulator modeling assumptions, direct comparison and benchmarking can be difficult. In 2012 the Organisation for Economic Co-operation and Development completed a benchmark study that is perhaps the most…
There has been an increasing interest in the monitoring of nuclear fuel for power reactors by detecting the anti-neutrinos produced during operation. Small liquid scintillator detectors have already demonstrated sensitivity to operational…
Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become…
The proliferation of low-precision units in modern high-performance architectures increasingly burdens domain scientists. Historically, the choice in HPC was easy: can we get away with 32 bit floating-point operations and lower bandwidth…
We describe here our perception of complex systems, of how we feel the different layers of description are important part of a correct complex system simulation. We describe a rough models categorization between rules based and law based,…
As compute power increases with time, more involved and larger simulations become possible. However, it gets increasingly difficult to efficiently use the provided computational resources. Especially in particle-based simulations with a…
Microscopic models, which embody the simplicity and significance of a dynamical symmetry approach to nuclear structure, are reviewed. They can reveal striking features of atomic nuclei when a symmetry dominates and solutions in domains that…
A quantum simulator based on ultracold optically trapped atoms for simulating the physics of atoms and molecules in ultrashort intense laser fields is introduced. The slowing down by about 13 orders of magnitude allows to watch in slow…
This paper proposes a sequential design for maximizing a stochastic computer simulator output, y(x), over an unknown optimization domain. The training data used to estimate the optimization domain are a set of (historical) inputs, often…
The nonlinear space-charge effects in a high intensity or high brightness accelerator can have a significant impact on the beam properties through the accelerator. These effects are included in the accelerator design via self-consistent…
Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…
Thermodynamics (in concert with its sister discipline, statistical physics) can be regarded as a data reduction scheme based on partitioning a total system into a subsystem and a bath that weakly interact with each other. The ubiquity and…
The treatment of quantum thermodynamic systems beyond weak coupling is of increasing relevance, yet extremely challenging. The evaluation of thermodynamic quantities in strong-coupling regimes requires a nonperturbative knowledge of the…
Laser plasma accelerators have the potential to reduce the size of future linacs for high energy physics by more than an order of magnitude, due to their high gradient. Research is in progress at current facilities, including the BELLA…
Understanding the mechanism of high-temperature superconductivity is among the most important problems in physics, for which quantum simulation can provide new insights. However, it remains challenging to characterize superconductivity in…
All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…
The topic of provable deep neural network robustness has raised considerable interest in recent years. Most research has focused on adversarial robustness, which studies the robustness of perceptive models in the neighbourhood of particular…
In the context of high performance finite element analysis, the cost of iteratively modifying a computational domain via re-meshing and restarting the analysis becomes time prohibitive as the size of simulations increases. In this paper, we…
We describe a new algorithm for simulating complex Markoff-processes. We have used a reaction-cell method in order to simulate arbitrary reactions. It can be used for any kind of RDS on arbitrary topologies, including fractal dimensions or…
The computational power increases over the past decades havegreatly enhanced the ability to simulate chemical reactions andunderstand ever more complex transformations. Tensor contractions are the fundamental computational building block of…