Browsing Mathematical Modelling with Multidisciplinary Applications (M3A) by Title
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ConductanceBased Refractory Density Approach for a Population of Bursting Neurons
(Bulletin of Mathematical Biology, 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
(Journal of Molecular Modeling, 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
(International Journal of Modern Physics C, 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 magnetothermoelectromechanical effects and electronic properties of quantum dots
(Journal of Computational and Theoretical Nanoscience, 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
(Physics in Medicine & Biology, 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 ... 
Crystal growth as an excitable medium
(Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 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 ... 
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
(Journal of Polymer Science, Part A: Polymer Chemistry, 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
(Colloid and Polymer Science, 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 ... 
Effect of Tissue Elasticity in Cardiac Radiofrequency Catheter Ablation Models
(2018)Radiofrequency catheter ablation (RFCA) is an effective treatment for different types of cardiac arrhythmias. However, major complications can occur, including thrombus formation and steam pops. We present a full 3D ... 
Electrochemical Potential Derived from Atomic Cluster Structures
(Journal of Physical Chemistry Letters, 20160101)Based on the atomic cluster structures and free electron approximation model, it is revealed that the electrochemical potential (ECP) for the system of interest is proportional to the reciprocal of atomic cluster radius ... 
Enhancing sampling in atomistic simulations of solid state materials for batteries: a focus on olivine NaFePO$_4$
(Theoretical Chemistry Accounts, 20170307)The study of ion transport in electrochemically active materials for energy storage systems requires simulations on quantum, atomistic and mesoscales. The methods accessing these scales not only have to be effective but ... 
Enhancing Sampling in Computational Statistics Using Modified Hamiltonians
(20161115)The Hamiltonian Monte Carlo (HMC) method has been recognized as a powerful sampling tool in computational statistics. In this thesis, we show that performance of HMC can be dramatically improved by replacing Hamiltonians ... 
Estimation of agespecific rates of reactivation and immune boosting of the varicella zoster virus
(Epidemics, 20161231)Studies into the impact of vaccination against the varicella zoster virus (VZV) have increasingly focused on herpes zoster (HZ), which is believed to be increasing in vaccinated populations with decreasing infection pressure. ... 
An even simpler understanding of quantum weak values
(Annals of Physics, 201801)We explain the properties and clarify the meaning of quantum weak values using only the basic notions of elementary quantum mechanics. 
Excitation of plasmons in a twodimensional electron gas with defects by microwaves: Wakefield method
(Physical Review B  Condensed Matter and Materials Physics, 20111231)We develop an analytical method to find plasmons generated by microwaves in a twodimensional electron gas with defects. The excitations are expressed in terms of the wake field of a charged particle moving in plasma. The ... 
The Experiment Data Depot: A WebBased Software Tool for Biological Experimental Data Storage, Sharing, and Visualization
(ACS Synthetic Biology, 20170930)Although recent advances in synthetic biology allow us to produce biological designs more efficiently than ever, our ability to predict the end result of these designs is still nascent. Predictive models require large ... 
Exploring Liion conductivity in cubic, tetragonal and mixedphase Alsubstituted Li7La3Zr2O12 using atomistic simulations and effective medium theory
(Acta Materialia, 20190815)Garnet Li7La3Zr2O12 (LLZO) is a promising solid electrolyte candidate for solidstate Liion batteries, but at room temperature it crystallizes in a poorly Liion conductive tetragonal phase. To this end, partial substitution ... 
Extracting Smatrix poles for resonances from numerical scattering data: TypeII Padé reconstruction
(Computer Physics Communications, 20111231)We present a FORTRAN 77 code for evaluation of resonance pole positions and residues of a numerical scattering matrix element in the complex energy (CE) as well as in the complex angular momentum (CAM) planes. Analytical ... 
Extreme brain events: Higherorder statistics of brain resting activity and its relation with structural connectivity
(EPL, 20151231)The brain exhibits a wide variety of spatiotemporal patterns of neuronal activity recorded using functional magnetic resonance imaging as the socalled bloodoxygenatedleveldependent (BOLD) signal. An active area of work ...