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A comparative study between Choline and Tetra-methyl ammonium bromide is presented here. Choline which is a crucial component for our dietary requirements causes many diseases if there is deficiency. We used combined approach of all-atom…
Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven…
A direct comparison measurement of fluorescent nuclear track detectors (FNTDs) and a thimble ionisation chamber is presented. Irradiations were performed using monoenergetic protons (142.66 MeV, 3*10^6 1/cm2) and carbon ions (270.55 MeV/u,…
At the Relativistic Heavy Ion Collider, jets have been a useful tool to probe the properties of the hot, dense matter created. At the Large Hadron Collider, collisions of Pb+Pb at $\sqrt{s_{NN}}$ = 5.5 TeV will provide a large cross section…
Structural materials are broadly used in applications such as nuclear vessels, high-temperature processes, and civil construction. Usually, during their placing and lifespan, they may present free or chemically bonded liquid phases in their…
The rotor-router walk model is proposed to describe the sub-diffusive behavior of double-strand breaks in chromatin caused by external factors such as heavy ions, $\gamma$-irradiation, etc. The mechanism of the double-strand breaks…
Modelling the Calvin cycle of photosynthesis leads to various systems of ordinary differential equations and reaction-diffusion equations. They differ by the choice of chemical substances included in the model, the choices of stoichiometric…
Fluctuating-charge models are computationally efficient methods of treating polarization and charge-transfer phenomena in molecular mechanics and classical molecular dynamics simulations. They are also theoretically appealing as they are…
Clays and micas are receiving attention as materials that, in their atomically thin form, could allow for novel proton conductive, ion selective, osmotic power generation, or solvent filtration membranes. The interest arises from the…
Narrow carbon nanotubes (CNTs) desalinate water, mimicking water channels of biological membranes, yet the physics behind selectivity, especially, the effect of the membrane embedding CNTs on water and ion transfer, is still unclear. Here,…
In contemporary magnetic confinement devices, the density distribution is sensed with interferometers and actuated with feedback controlled gas injection and open-loop pellet injection. This is at variance with the density control for ITER…
The interplay of slow dynamics and thermodynamic features of dense liquids is studied by examinining how the glass transition changes depending on the presence or absence of Lennard-Jones-like attractions. Quite different thermodynamic…
Continuous-time measurements are instrumental for a multitude of tasks in quantum engineering and quantum control, including the estimation of dynamical parameters of open quantum systems monitored through the environment. However, such…
Water quality is foundational to environmental sustainability, ecosystem resilience, and public health. Deep learning offers transformative potential for large-scale water quality prediction and scientific insights generation. However,…
The performance of data fusion and tracking algorithms often depends on parameters that not only describe the sensor system, but can also be task-specific. While for the sensor system tuning these variables is time-consuming and mostly…
We report on resistive switching of memristive electrochemical metallization devices using 3D kinetic Monte Carlo simulations describing the transport of ions through a solid state electrolyte of an Ag/TiO$_{\text{x}}$/Pt thin layer system.…
Accurately capturing the complex interaction between CO2 and water in porous media at the pore scale is essential for various geoscience applications, including carbon capture and storage (CCS). We introduce a comprehensive dataset…
Polyimides, due to their superior mechanical behavior at high temperatures, are used in a variety of applications that include aerospace, automobile and electronic packaging industries, as matrices for composites, as adhesives etc. In this…
The fundamental understanding of intermolecular interactions of ionic liquids with water represents a vital extent in predicting ionic liquid properties. Intermolecular or noncovalent interactions were studied for 1,3-dimethyl imidazolium…
Mathematical modeling is an important theoretical tool which provides researchers with quantification of the permeability of dialyzing systems in renal replacement therapy. In the paper we provide a short review of the most successful…