Browsing Mathematical Modelling with Multidisciplinary Applications (M3A) by Title
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Computer software for understanding resonances and resonancerelated phenomena in chemical reactions
(20141231)In numerical modelling of chemical reactions one calculates the scattering matrix for the required values of energy and angular momentum. Having done so, one still faces the nontrivial task of extracting detailed information ... 
Computing Higher Leray–Serre Spectral Sequences of Towers of Fibrations
(20201027)The higher Leray–Serre spectral sequence associated with a tower of fibrations represents a generalization of the classical Leray–Serre spectral sequence of a fibration. In this work, we present algorithms to compute higher ... 
Computing Multipersistence by Means of Spectral Systems
(20190708)In their original setting, both spectral sequences and persistent homology are algebraic topology tools defined from filtrations of objects (e.g. topological spaces or simplicial complexes) indexed over the set Z of integer ... 
Computing the eigenvalues of realistic Daphnia models by pseudospectral methods
(20151231)This work deals with physiologically structured populations of the Daphnia type. Their biological modeling poses several computational challenges. In such models, indeed, the evolution of a size structured consumer described ... 
A concerted systems biology analysis of phenol metabolism in Rhodococcus opacus PD630
(201906)Rhodococcus opacus PD630 metabolizes aromatic substrates and naturally produces branchedchain lipids, which are advantageous traits for lignin valorization. To provide insights into its lignocellulose hydrolysate utilization, ... 
Conditionspecific mortality risk can explain differences in COVID19 case fatality ratios around the globe
(202009)Objectives With COVID19 infections resulting in death according to a hierarchy of risks, with age and preexisting health conditions enhancing disease severity, the objective of this study is to estimate the conditionspecific ... 
ConductanceBased Refractory Density Approach for a Population of Bursting Neurons
(2019)The conductancebased refractory density (CBRD) approach is a parsimonious mathematicalcomputational framework for modeling interact ing populations of regular spiking neurons, which, however, has not been yet extended ... 
Constant pressure hybrid Monte Carlo simulations in GROMACS
(20141231)Adaptation and implementation of the Generalized Shadow Hybrid Monte Carlo (GSHMC) method for molecular simulation at constant pressure in the NPT ensemble are discussed. The resulting method, termed NPTGSHMC, combines ... 
Corrections to finitesize scaling in the $\varphi^4$ model on square lattices
(20160101)Corrections to scaling in the twodimensional (2D) scalar (Formula presented.) model are studied based on nonperturbative analytical arguments and Monte Carlo (MC) simulation data for different lattice sizes L ((Formula ... 
Coupled Electromechanical Behavior of Microtubules
(2019)n this contribution, the coupled electromechanical behavior of the microtubules has been systematically investigated utilizing a continuumbased finite element framework. A threedimensional computational model of a mi ... 
Coupled magnetothermoelectromechanical effects and electronic properties of quantum dots
(20131231)For the first time, we systemically analyze the influence of magnetothermoelectromechanical effects on the band structure calculations by using the fully coupled model. We focus on three different types of quantum dots ... 
Coupled thermoelectromechanical models for thermal ablation of biological tissues and heat relaxation time effects
(2019)Thermal ablation is a widely applied electrosurgical process in medical treatment of soft biological tissues. Numerical modeling and simulations play an important role in prediction of temperature distribution and ... 
Critical fluctuations in epidemic models explain COVID‑19 post‑lockdown dynamics
(20210706)As the COVID19 pandemic progressed, research on mathematical modeling became imperative and very influential to understand the epidemiological dynamics of disease spreading. The momentary reproduction ratio r(t) of an ... 
Cross immunity protection and antibodydependent enhancement in a distributed delay dynamic model
(20220101)Dengue fever is endemic in tropical and subtropical countries, and certain important features of the spread of dengue fever continue to pose challenges for mathematical modelling. Here we propose a system of integrodifferential ... 
Crystal growth as an excitable medium
(20121231)Crystal growth has been widely studied for many years, and, since the pioneering work of Burton, Cabrera and Frank, spirals and target patterns on the crystal surface have been understood as forms of tangential crystal ... 
Density Estimation by Monte Carlo and QuasiMonte Carlo
(2021)Estimating the density of a continuous random variable $X$ has been studied extensively in statistics, in the setting where $n$ independent observations of $X$ are given a priori and one wishes to estimate the density from ... 
Deterministic and Stochastic Dynamics of COVID19: The Case Study of Italy and Spain
(20220213)In December 2019, a severe respiratory syndrome (COVID19) caused by a new coronavirus (SARSCoV2) was identified in China and spread rapidly around the globe. COVID19 was declared a pandemic by the World Health Organization ... 
Discretizations of the spectral fractional Laplacian on general domains with Dirichlet, Neumann, and Robin boundary conditions
(20170428)In this work, we propose novel discretisations of the spectral fractional Laplacian on bounded domains based on the integral formulation of the operator via the heatsemigroup formalism. Specifically, we combine suitable ... 
Dynamic modeling of the morphology of latex particles with in situ formation of graft copolymer
(20121231)Modification of the polymerpolymer interfacial tension is a way to tailormake particle morphology of waterborne polymerpolymer hybrids. This allows achieving a broader spectrum of application properties and maximizing ... 
Dynamic modeling of the morphology of multiphase waterborne polymer particles
(20131231)Multiphase waterborne polymer particles provide advantages in more demanding applications, and their performance depends on particle morphology. Currently, no dynamic model for the prediction of the development of the ...