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Optimizing the transient control of gas networks is a highly challenging task. The corresponding model incorporates the combinatorial complexity of determining the settings for the many active elements as well as the non-linear and…
Machine learning methods are being explored in many areas of science, with the aim of finding solution to problems that evade traditional scientific approaches due to their complexity. In general, an order parameter capable of identifying…
A key part of planning CO2 storage sites is to devise a monitoring strategy. The aim of this strategy is to fulfill the requirements of legislations and lower cost of the operation by avoiding operational problems. If CCS is going to be a…
Advanced reactors to be deployed in the coming decades will face deregulated energy markets, and may adopt flexible operation to boost profitability. To aid in the transition from baseload to flexible operation paradigm, autonomous…
Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly describe bond breaking and making energetics. Commonly used…
The next generation of accelerators for MegaWatt proton, electron and heavy-ion beams puts unprecedented requirements on the accuracy of particle production predictions, the capability and reliability of the codes used in planning new…
In work the results of the analysis are presented relating to the status of a streamer discharge mode in different gas detectors developed at the moment in laboratories and nuclear-physics installations. Thanks to new representations from a…
Many popular methods for the calculation of chemical potentials rely on the insertion of test particles into the target system. In the case of liquids and liquid mixtures, this procedure increases in difficulty upon increasing density or…
In view of future applications of plasma-based particle accelerators, within the fields of high-energy physics and new light sources, the capability of plasma sources to operate at high repetition rates is crucial. In particular for…
Identifying coherent flow structures in chemical reactors is crucial for understanding the mixing dynamics, which is essential for optimizing reactor performance. We demonstrate the use of a transfer operator method to find coherent flow…
Sensitivity analysis of biochemical reactions aims at quantifying the dependence of the reaction dynamics on the reaction rates. The computation of the parameter sensitivities, however, poses many computational challenges when taking…
Control of non-condensing non-ideal-gas power cycles is challenging because their output power dynamics depend on complex system interactions, non-ideal-gas effects complicate turbomachinery behavior, and state constraints must be…
The reconstruction, management, and optimization of gas pipelines is of significant importance for solving modern engineering problems. This paper presents innovative methodologies aimed at the effective reconstruction of gas pipelines…
Molecules with heavy, radioactive nuclei promise extreme sensitivity to fundamental nuclear and particle physics. However, these nuclei are available in limited quantities, which challenges their use in precision measurements. Here we…
The formation and entrapment of gas bubbles during solidification significantly influence the microstructure and mechanical properties of materials, from metallic alloys to ice. While gas segregation at the solidification front is…
Successful deployment of geological carbon storage (GCS) requires an extensive use of reservoir simulators for screening, ranking and optimization of storage sites. However, the time scales of GCS are such that no sufficient long-term data…
We present a family of multi-stage preconditioners for coupled thermal-compositional-reactive reservoir simulation problems. The most common preconditioner used in industrial practice, the Constrained Pressure Residual (CPR) method, was…
The study explores technological schemes and control methods for reconstructing parallel gas pipeline systems under non-stationary conditions. It focuses on improving safety, reliability, and efficiency by automating valve control and…
Achieving chemical accuracy in quantum simulations is often constrained by the measurement bottleneck: estimating operators requires a large number of shots, which remains costly even on fault-tolerant devices and is further exacerbated on…
Exploring nonlinear chemical dynamic systems for information processing has emerged as a frontier in chemical and computational research, seeking to replicate the brain's neuromorphic and dynamic functionalities. We have extensively…