The development and application of a simultaneous two-way coupled, discrete element method and smoothed particle hydrodynamic model for spatial scale-up dynamics of laboratory vert... by Ssebunnya, Divine

“…This study presents a two-way coupled DEM-SPH model that computes the DEM and SPH portions of the mill system simultaneously and resolves their interaction forces through a two-way coupling interface. …”
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Leveraging numerical relativity formulations for perturbative analysis: applications to quasinormal modes in general relativity by Nkele, Sipho

“…Despite their complementary strengths, numerical relativity and perturbation theory are often treated as distinct approaches, with limited interaction between them. Bridging this gap is crucial for improving our ability to extract physical information from numerical simulations and for validating approximations used in perturbative studies. …”
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Refining the HIV-1 glycan shield model: dynamics of a heterogeneous envelope trimer and empirical prediction of glycan processing by Garrard, Clare

“…The HIV-1 surface protein, Envelope (Env), is covered in asparagine-linked glycans, which interact with the human immune system and are thus important as potential vaccine targets. …”
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Contextual behavioural modelling and classification of vessels in a maritime piracy situation

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The general continuum model for structured populations, with two case studies in plant ecology by Laurie, Henri De Guise

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A study on the response of a target plate to a foreign object placed at various depths in a cylindrical Charge by Hoare, Matthew

“…Three different charge masses with varying placements of the ball bearing were investigated. Computational simulations, validated using experimental data, were used to elucidate additional details to gain insight about the momentum transfer during the blast event. …”
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A methodology for coupled CFD-DEM modeling of particulate suspension rheology by Smuts, Evan Matthew

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Electronic and solvent effects on monosaccharide conformations by Barnett_CB

“…Density Functional Theory (OFT) calculations were also carried out and Atoms in Molecules (AIM) and Natural Bond Orbital (NBO) analyses were applied. Gaseous phase simulation results for both glucose and galactose gave hydroxymethyl rotational preferences of gg>tg>gt and gt>gg>tg respectively. …”
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Electronic and solvent effects on monosaccharide conformations by Barnett, Christopher Bevan

“…Density Functional Theory (OFT) calculations were also carried out and Atoms in Molecules (AIM) and Natural Bond Orbital (NBO) analyses were applied. Gaseous phase simulation results for both glucose and galactose gave hydroxymethyl rotational preferences of gg>tg>gt and gt>gg>tg respectively. …”
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Dynamic Modelling and Hybrid Non-Linear Model Predictive Control of Induced Draft Cooling Towers With Parallel Heat Exchangers, Pumps and Cooling Water Network

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Modelling of the electrode-auditory nerve fibre interface in cochlear prostheses

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A spectroscopic study of square planar rhodium(I) complexes by Hall, Philip Simon

“…The enthalpy and entropy values for the intermolecular exchange of L in the complexes cis-[Rh(CO)₂(X)(L)] were obtained by a complete computer simulated band shape analysis of the carbonyl region of the ¹³C nmr spectra. …”
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Optimisation of biogas production from co-digestion of water hyacinth, municipal solid waste and cow dung

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Modelling and uncertainty propagation of measured phase equilibrium data for the 1-nonanol, n-hexadecane, and supercritical carbon dioxide system by Mouton, Corine

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Targeted inhibition of the Plasmodium falciparum Vitamin B6 producing enzyme Pdx1 and the biochemical and functional consequences thereof

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Advanced take-off and flight control algorithms for fixed wing unmanned aerial vehicles by De Hart, Ruan Dirk

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The characterization of the components of the energy and water balance within hedgerow orchards for the verification of a two-dimensional water balance and energy interception mode...

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Phase noise reduction in a multiphase oscillator

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Measuring the effects of reaction coordinate and electronic treatments in the QM/MM reaction dynamics of Trypanosoma cruzi trans-sialidase by Rogers, Ian Lloyd

“…In order to carry out these simulations Free Energies from Adaptive Reaction Coordinates Forces was ported as a Fortran 90 library that interfaces with the NWChem molecular dynamics package. …”
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Targeted inhibition of the Plasmodium falciparum Vitamin B6 producing enzyme Pdx1 and the biochemical and functional consequences thereof

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