Browsing Modelling and Simulation in Life and Materials Sciences by Title
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Hartman effect and weak measurements that are not really weak
(20111231)We show that in wave packet tunneling, localization of the transmitted particle amounts to a quantum measurement of the delay it experiences in the barrier. With no external degree of freedom involved, the envelope of the ... 
Hidden electronic rule in the "clusterplusglueAtom" model
(20161001)Electrons and their interactions are intrinsic factors to affect the structure and properties of materials. Based on the “clusterclusterplusglueatom” model, an electron counting rule for complex metallic alloys (CMAs) ... 
Higherorder nonlinear electromechanical effects in wurtzite GaN/AlN quantum dots
(20101231)As we demonstrated earlier, conventional mathematical models based on linear approximations may be inadequate in the analysis of properties of lowdimensional nanostructures and band structure calculations. In this work, ... 
Impact of competitive processes on controlled radical polymerization
(20141231)The kinetics of radical polymerization have been systematically studied for nearly a century and in general are well understood. However, in light of recent developments in controlled radical polymerization many kinetic ... 
Influence of electromechanical effects and wetting layers on band structures of AlN/GaN quantum dots and spin control
(20101231)In a series of recent papers we demonstrated that coupled electromechanical effects can lead to pronounced contributions in band structure calculations of low dimensional semiconductor nanostructures (LDSNs) such as quantum ... 
Interference mechanism of seemingly superluminal tunneling
(20131231)Apparently "superluminal" transmission, e.g., in quantum tunneling and its variants, occurs via a subtle interference mechanism which allows reconstruction of the entire spatial shape of a wave packet from its front tail. ... 
The JBEI quantitative metabolic modeling library (jQMM): a python library for modeling microbial metabolism
(20170101)Modeling of microbial metabolism is a topic of growing importance in biotechnology. Mathematical modeling helps provide a mechanistic understanding for the studied process, separating the main drivers from the circumstantial ... 
Kinetic Parameter Estimation from Spectroscopic Data for a MultiStage SolidLiquid Pharmaceutical Process
(20200807)Laboratory and process measurements from spectroscopic instruments are ubiquitous in pharma processes, and directly using the data can pose a number of challenges for kinetic model building. Moreover, scaling up from ... 
Lessons from Two Design–Build–Test–Learn Cycles of Dodecanol Production in Escherichia coli Aided by Machine Learning
(20190101)The Design–Build–Test–Learn (DBTL) cycle, facilitated by exponentially improving capabilities in synthetic biology, is an increasingly adopted metabolic engineering framework that represents a more systematic and efficient ... 
Lowtraffic limit and firstpassage times for a simple model of the continuous double auction
(201705)We consider a simplified model of the continuous double auction where prices are integers varying from 1 to $N$ with limit orders and market orders, but quantity per order limited to a single share. For this model, the ... 
Lyapunov functional techniques for the global stability analysis of a delayed SIRS epidemic model
(20121231)In this paper, we study the global dynamics of a delayed SIRS epidemic model for transmission of disease with a class of nonlinear incidence rates of the form βS(t)∫ 0 hf(τ)G(I(tτ))dτ. Applying Lyapunov functional techniques ... 
A Machine Learning Approach to Predict Metabolic Pathway Dynamics from Time Series Multiomics Data
(201805)New synthetic biology capabilities hold the promise of dramatically improving our ability to engineer biological systems. However, a fundamental hurdle in realizing this potential is our inability to accurately predict ... 
Machine learning framework for assessment of microbial factory performance
(20190101)Metabolic models can estimate intrinsic product yields for microbial factories, but such frameworks struggle to predict cell performance (including product titer or rate) under suboptimal metabolism and complex bioprocess ... 
Manipulation of single electron spin in a GaAs quantum dot through the application of geometric phases: The Feynman disentangling technique
(20101231)The spin of a single electron in an electrically defined quantum dot in a twodimensional electron gas can be manipulated by moving the quantum dot adiabatically in a closed loop in the twodimensional plane under the ... 
Mathematical modelling as a tool to understand cell selfrenewal and differentiation
(20160101)Mathematical modeling is a powerful technique to address key questions and paradigms in a variety of complex biological systems and can provide quantitative insights into cell kinetics, fate determination and development ... 
Maximal regularity in $l_p$ spaces for discrete time fractional shifted equations
(20170501)In this paper, we are presenting a new method based on operatorvalued Fourier multipliers to \ characterize the existence and uniqueness of $\ell_p$solutions for discrete time fractional models in the form $$ ... 
Mechanism of hydrogen production via water splitting on 3CSiC's different surfaces: A firstprinciples study
(20141231)The reaction mechanism of producing hydrogen via water splitting on the different surfaces of cubic silicon carbide (3CSiC), the adsorption energy and the activation energy have been studied here by using density functional ... 
MesoGSHMC: A stochastic algorithm for mesoscale constant temperature simulations
(20111231)We consider the problem of timestepping/sampling for molecular and mesoscale particle dynamics. The aim of the work is to derive numerical timestepping methods that generate samples exactly from the desired target ... 
Microstructures of constrained shape memory alloy nanowires under thermal effects
(20101231)In this paper, martensitic transformations in constrained FePd nanowires are studied using a mesoscopic model analyzed in detail numerically in our earlier papers. The dynamics of squaretorectangular transformation is ... 
Modeling latent infection transmissions through biosocial stochastic dynamics
(202008)The events of the recent SARSCoV2 epidemics have shown the importance of social factors, especially given the large number of asymptomatic cases that effectively spread the virus, which can cause a medical emergency to ...