On the Proton Transfer Mechanism in Ammonia-Bridged 7-Hydroxyquinoline: a First-Principles TDDFT Molecular Dynamics Study

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The aircraft assembly system is highly complex involving different stakeholders from multiple domains. The design of such a system requires comprehensive consideration of various industrial scenarios aiming to optimize key performance indicators. Tradition ...

The SMall Aspect Ratio Tokamak (SMART) under commissioning at the University of Seville, Spain, aims to explore confinement properties and possible advantages in confinement for compact/spherical tokamaks operating at negative vs. positive triangularity. T ...

2.5D Systems-on-Package (SoPs) are composed by several chiplets placed on an interposer. They are becoming increasingly popular as they enable easy integration of electronic components in the same package and high fabrication yields. Nevertheless, they int ...

Electron cloud continues to be one of the main limiting factors of the Large Hadron Collider (LHC), the biggest accelerator at CERN. These clouds form in the beam chamber when positively charged particles are passing through and cause unwanted effects in b ...

Low-level light detection with high spatial and timing accuracy is a growing area of interest by virtue of applications such as light detection and ranging (LiDAR), biomedical imaging, time-resolved Raman spectroscopy, and quantum applications. Single-phot ...

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

We provide a theoretical description of dynamical heterogeneities in glass-forming liquids, based on the premise that relaxation occurs via local rearrangements coupled by elasticity. In our framework, the growth of the dynamical correlation length e and o ...

Anthropogenic modification of natural landscapes to urban environments impacts land-atmosphere interactions in the boundary layer. Ample research has demonstrated the effect of such landscape transitions on development of the urban heat island (UHI), but c ...

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

Accurately representing mixed-phase clouds (MPCs) in global climate models (GCMs) is critical for capturing climate sensitivity and Arctic amplification. Secondary ice production (SIP), can significantly increase ice crystal number concentration (ICNC) in ...

Stroke, a major global health concern often rooted in cardiac dynamics, demands precise risk evaluation for targeted intervention. Current risk models, like the CHA 2 DS 2 -VASc \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepa ...

A design concept is proposed for the building block, a dot, of programmable braille readers utilizing bistable shell buckling, magnetic actuation, and pneumatic loading. The design process is guided by Finite Element simulations, which are initially valida ...

Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

Plasma-molecular interactions generate molecular ions which react with the plasma and contribute to detachment through molecular activated recombination (MAR), reducing the ion target flux, and molecular activated dissociation (MAD), both of which create e ...

On the Proton Transfer Mechanism in Ammonia-Bridged 7-Hydroxyquinoline: a First-Principles TDDFT Molecular Dynamics Study

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An aircraft assembly process formalism and verification method based on semantic modeling and MBSE

NBI optimization on SMART and implications for scenario development

REMOTE: Re-thinking Task Mapping on Wireless 2.5D Systems-on-Package for Hotspot Removal

Characterization of Transverse Instabilities Driven by Electron Cloud

Advanced Silicon and SWIR Single-Photon Avalanche Diodes: Design, Simulation, and Characterization

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Scaling Description of Dynamical Heterogeneity and Avalanches of Relaxation in Glass-Forming Liquids

Urban boundary-layer flows in complex terrain: Dynamic interactions during a hot and dry summer season in Phoenix, Arizona

Machine-learning the electronic density of states: electronic properties without quantum mechanics

RaFSIP: Parameterizing ice multiplication in models using a machine learning approach

A comprehensive stroke risk assessment by combining atrial computational fluid dynamics simulations and functional patient data

Leveraging the Snap Buckling of Bistable Magnetic Shells to Design a Refreshable Braille Dot

Modelling of metal alloys in realistic conditions with machine learning

Investigating the impact of the molecular charge-exchange rate on detached SOLPS-ITER simulations