Computer Applications in Science & Engineering
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Articles de revista [206]
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Recent Submissions
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Effect of inclusion of pitch-angle dependence on a simplified model of RF deposition in tokamak plasma
(IOP Publishing, 2022-04)
Article
Open AccessUsing the PION ICRH modelling code and comparisons against JET tokamak experiments, the effect of including pitch angle dependence within the RF diffusion operator on the fast ion particle distribution functions is quantified. ... -
Parametric and model uncertainties induced by reduced order chemical mechanisms for biogas combustion
(Elsevier, 2020)
Article
Restricted access - publisher's policyThis study investigates the impact of chemical kinetic uncertainties on biogas combustion using a Uncertainty Quantification (UQ)-based methodology. The results indicate that the variation of physicochemical properties ... -
A physiology-inspired framework for holistic city simulations
(Elsevier, 2022)
Article
Open AccessLife, services and activities within cities have commonly been studied by separate disciplines, each one independent from the others. One such approach is the computer simulation, which enables in-depth modelling and ... -
Molecular simulations of surfactant adsorption on Iron oxide from hydrocarbon solvents
(American Chemical Society, 2021-12)
Article
Restricted access - publisher's policyThe performance of organic friction modifiers (OFMs) depends on their ability to adsorb onto surfaces and form protective monolayers. Understanding the relationship between OFM concentration in the base oil and the resulting ... -
Progress from ASDEX Upgrade experiments in preparing the physics basis of ITER operation and DEMO scenario development
(IOP Publishing, 2022-03)
Article
Open AccessAn overview of recent results obtained at the tokamak ASDEX Upgrade (AUG) is given. A work flow for predictive profile modelling of AUG discharges was established which is able to reproduce experimental H-mode plasma ... -
Study protocol: MyoFit46—the cardiac sub-study of the MRC National Survey of Health and Development
(BioMed Central (BMC), 2022-04)
Article
Open AccessBackground The life course accumulation of overt and subclinical myocardial dysfunction contributes to older age mortality, frailty, disability and loss of independence. The Medical Research Council National Survey of ... -
A statistical approach towards fast estimates of moderate-to-large earthquake focal mechanisms
(Frontiers Media, 2022)
Article
Open AccessEmerging high-performance computing systems, combined with increasingly detailed 3-D Earth models and physically consistent numerical wave propagation solvers, are opening up new opportunities for urgent seismic computing. ... -
A molecular simulation study on transport properties of FAMEs in high-pressure conditions
(Elsevier, 2022)
Article
Restricted access - publisher's policyTransport property prediction of fatty acid methyl esters (FAMEs) is essential to its utilisation as biodiesel and biolubricant which can work under high-pressure conditions. Equilibrium molecular simulation is performed ... -
Automatic Penalty and Degree Continuation for Parallel Pre-Conditioned Mesh Curving on Virtual Geometry
(Elsevier, 2022)
Article
Restricted access - publisher's policyWe present a distributed parallel mesh curving method for virtual geometry. The main application is to generate large-scale curved meshes on complex geometry suitable for analysis with unstructured high-order methods. ... -
Ensemble-based forecast of volcanic clouds using FALL3D-8.1
(Frontiers Media, 2022-01)
Article
Open AccessOperational forecasting of volcanic ash and SO<sub>2</sub> clouds is challenging due to the large uncertainties that typically exist on the eruption source term and the mass removal mechanisms occurring downwind. Current ... -
Experimental high-dimensional Greenberger-Horne-Zeilinger entanglement with superconducting transmon Qutrits
(American Physical Society, 2022-02)
Article
Open AccessMultipartite entanglement is one of the core concepts in quantum information science with broad applications that span from condensed matter physics to quantum physics foundation tests. Although its most studied and tested ... -
Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
(Elsevier, 2022)
Article
Open AccessWe push the boundaries of electronic structure-based ab-initio molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical force-field methods or novel neural network and ...
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