Research
Research
Research
Research
742+ open-access research outputs.
Binary mixtures of two dimensional, site-based models of alcohols are investigated by computer simulations, with a focus on ideal mixing, local clustering and miscibility trends. Four representative s…
An analytical solution is obtained for the problem of the slow movement of a small drop of a fluid in another immiscible fluid in an infinitely large reservoir with the boundary condition of the norma…
Electroencephalography provides a non-invasive and cost-effective approach for analyzing neural patterns associated with alcohol dependence. However, reported classification performance in EEG-based a…
Functional data consist of trajectories observed over a continuous domain, such as time, space, or wavelength. Here we consider curves observed on different groups of subjects and propose a Bayesian m…
Beer is a phenomenal beverage. It has previously shaped the history of many peoples, states and cultures. The beauty of beer is its versatility. Starting from the original implementations that were mu…
We explore the pressure dependence of a set of properties of simple monohydric alcohols, namely of methanol, ethanol and 1-propanol, by using isobaric-isothermal molecular dynamics computer simulation…
We explore the dependence of a wide set of properties of monohydric alcohols on temperature by using the isobaric-isothermal molecular dynamics computer simulations. Namely, methanol (MeOH), ethanol (…
Absolute cross sections for the formation of OH- from 2-propanol (CH3CH(OH)CH3) via dissociative electron attachment (DEA) are reported in the incident electron energy range of 3.5-13 eV. Four fragmen…
Alcohols and aldehydes represent two key classes of interstellar complex organic molecules (COMs). This work seeks to better understand their possible chemical connections, with a focus on such molecu…
The ability to programmatically retrieve vast quantities of data from online sources has given rise to increasing usage of web-scraped datasets for various purposes across government, industry and aca…
Underground storage of hydrogen and ammonia in geological formations is essential for renewable energy integration, but salt precipitation during gas injection may threaten storage performance. While …
The most startling of the contemporary problems is the sleepiness of chauffeur which causes lots of car accidents. Prevention of those impending accidents by detecting and alerting the sleepy chauffeu…
Aqueous alkylamine mixtures are studied by computer simulations in order to understand the microscopic origin of the water rich side prominent x-ray scattering pre-peaks reported in a recent study. Th…
We reproduce the Debye process in the dielectric response of liquid 1-propanol by all-atom molecular dynamics simulations between 340 K and 200 K. The analysis of dipolar correlations reveals that the…
This study presents a mathematical model formulated as a system of first-order non-linear ordinary differential equations, aimed at examining the effects of different factors, classified as local and …
Binding energy (BE) is a critical parameter in astrochemical modeling, governing the retention of species on interstellar dust grains and their subsequent chemical evolution. However, conventional mod…
The fragmentation of 1-propanol resulting from dissociative electron attachment has been explored across an energy range of 3.5 to 16 eV. Four distinct ion species are identified: $\text{H}^{-}$, $\te…
Polytungstates are oxygen-linked assemblies of highly oxidized tungsten polyhedra, valued for their tunability and stability in diverse applications. Traditional synthesis methods (hydrothermal, solvo…
In multi-condition EEG experiments, brain activity is recorded as subjects perform various tasks or are exposed to different stimuli. The recorded signals are commonly transformed into time-frequency …
We investigate an approximate sampling scheme that can significantly reduce the cost scaling of variational Monte Carlo when it is employed to predict the energy differences associated with local chem…
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