Browsing Modelling and Simulation in Life and Materials Sciences by Title
Now showing items 4261 of 154

Electrochemical Potential Derived from Atomic Cluster Structures
(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$_4$
(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 ... 
An even simpler understanding of quantum weak values
(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
(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 ... 
Existence, Uniqueness, and Numerical Modeling of Wine Fermentation Based on IntegroDifferential Equations
(2022)Predictive modeling is key for saving time and resources in manufacturing processes such as fermentation arising in food and chemical manufacturing. To make reliable predictions, realistic models representing the most ... 
The Experiment Data Depot: A WebBased Software Tool for Biological Experimental Data Storage, Sharing, and Visualization
(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
(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
(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 ... 
FluxEnabled Exploration of the Role of Sip1 in Galactose Yeast Metabolism
(20170531)13C metabolic flux analysis (13C MFA) is an important systems biology technique that has been used to investigate microbial metabolism for decades. The heterotrimer Snf1 kinase complex plays a key role in the preference ... 
From chemical gardens to chemobrionics
(20151231)Chemical gardens in laboratory chemistries ranging from silicates to polyoxometalates, in applications ranging from corrosion products to the hydration of Portland cement, and in natural settings ranging from hydrothermal ... 
Functional Geometry of Human Connectomes
(201908)Mapping the brain imaging data to networks, where nodes represent anatomical brain regions and edges indicate the occurrence of fiber tracts between them, has enabled an objective graphtheoretic analysis of human connectomes. ... 
Geometry and temperature dependent thermal conductivity of diamond nanowires: A nonequilibrium molecular dynamics study
(20101231)Using nonequilibrium molecular dynamics methods, the analysis of geometry and temperature dependent thermal conductivities of diamond nanowires is carried out. It is found that at the same temperature conditions, thermal ... 
Global asymptotic stability beyond 3/2 type stability for a logistic equation with piecewise constant arguments
(20101231)In this paper, a logistic equation with multiple piecewise constant arguments is investigated in detail. We generalize the approach in two papers, [K. Uesugi, Y. Muroya, E. Ishiwata, On the global attractivity for a logistic ... 
Global dynamics of a cell mediated immunity in viral infection models with distributed delays
(20111231)In this paper, we investigate global dynamics for a system of delay differential equations which describes a virusimmune interaction in vivo. The model has two distributed time delays describing time needed for infection ... 
Global dynamics of a delayed SIRS epidemic model with a wide class of nonlinear incidence rates
(20121231)In this paper, by constructing Lyapunov functionals, we consider the global dynamics of an SIRS epidemic model with a wide class of nonlinear incidence rates and distributed delays ∫ h 0 p(τ)f(S(t),I(t τ))dτ under the ... 
Global dynamics of a viral infection model with a latent period and BeddingtonDeAngelis response
(20111231)In this paper, we study the global dynamics of a viral infection model with a latent period. The model has a nonlinear function which denotes the incidence rate of the virus infection in vivo. The basic reproduction number ... 
Global dynamics of difference equations for SIR epidemic models with a class of nonlinear incidence rates
(20121231)In this paper, by applying a variation of the backward Euler method, we propose a discretetime SIR epidemic model whose discretization scheme preserves the global asymptotic stability of equilibria for a class of corresponding ... 
Global dynamics of twocompartment models for cell production systems with regulatory mechanisms
(20131231)We present a global stability analysis of twocompartment models of a hierarchical cell production system with a nonlinear regulatory feedback loop. The models describe cell differentiation processes with the stem cell ... 
Global stability for a discrete epidemic model for disease with immunity and latency spreading in a heterogeneous host population
(20121231)In this paper, we propose a discrete epidemic model for disease with immunity and latency spreading in a heterogeneous host population, which is derived from the continuous case by using the wellknown backward Euler method ...