A one-dimensional Keller-Segel equation with a drift issued from the boundary

We investigate in this note the dynamics of a one-dimensional Keller-Segel type model on the half-line. On the contrary to the classical configuration, the chemical production term is located on the boundary. We prove, under suitable assumptions, the following dichotomy which is reminiscent of the two-dimensional Keller-Segel system. Solutions are global if the mass is below the critical mass, they blow-up in finite time above the critical mass, and they converge to some equilibrium at the critical mass. Entropy techniques are presented which aim at providing quantitative convergence results for the subcritical case. This note is completed with a brief introduction to a more realistic model (still one-dimensional).Comment: short version, 8 page

Numerical simulation of the dynamics of molecular markers involved in cell polarisation

A cell is polarised when it has developed a main axis of organisation through the reorganisation of its cytosqueleton and its intracellular organelles. Polarisation can occur spontaneously or be triggered by external signals, like gradients of signaling molecules ... In this work, we study mathematical models for cell polarisation. These models are based on nonlinear convection-diffusion equations. The nonlinearity in the transport term expresses the positive loop between the level of protein concentration localised in a small area of the cell membrane and the number of new proteins that will be convected to the same area. We perform numerical simulations and we illustrate that these models are rich enough to describe the apparition of a polarisome.Comment: 15 page

First-principles methodology for quantum transport in multiterminal junctions

We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theory, electron transmission is evaluated employing an O(N) method for electronic-structure calculations. The nonequilibrium Green function for the nonequilibrium electron density of the multiterminal junction is computed self-consistently by solving Poisson equation after applying a realistic bias. We illustrate the suitability of the method on two examples of four-terminal systems, a radialene molecule connected to carbon chains and two crossed carbon chains brought together closer and closer. We describe charge density, potential profile, and transmission of electrons between any two terminals. Finally, we discuss the applicability of this technique to study complex electronic devices.Comment: Will be coming out in JCP soo

Invasion fronts with variable motility: phenotype selection, spatial sorting and wave acceleration

Invasion fronts in ecology are well studied but very few mathematical results concern the case with variable motility (possibly due to mutations). Based on an apparently simple reaction-diffusion equation, we explain the observed phenomena of front acceleration (when the motility is unbounded) as well as other quantitative results, such as the selection of the most motile individuals (when the motility is bounded). The key argument for the construction and analysis of traveling fronts is the derivation of the dispersion relation linking the speed of the wave and the spatial decay. When the motility is unbounded we show that the position of the front scales as $t^{3/2}$. When the mutation rate is low we show that the canonical equation for the dynamics of the fittest trait should be stated as a PDE in our context. It turns out to be a type of Burgers equation with source term.Comment: 7 page

Semi-empirical many-body formalism of optical absorption in nanosystems and molecules

A computationally efficient Green’s function approach is developed to evaluate the optical properties of nanostructures within a semi-empirical Hubbard model. A GW formalism is applied on top of a tight-binding and mean-field approach. The use of the GW approximation includes key parts of the many-body physics that govern the optical response of nanostructures and molecules subjected to an external electromagnetic field and that is not included in the mean-field approximation. Such description of the electron-electron correlation yields computed spectra that compare significantly better with experiment for a subset of polycyclic aromatic hydrocarbons (PAHs) considered for illustrative purpose. More generally, the method is applicable to any structure whose electronic properties can be described in first approximation within a mean-field approach and is amenable for high-throughput studies aimed at screening materials with desired optical properties

Semi-empirical many-body formalism of optical absorption in nanosystems and molecules

A computationally efficient Green's function approach is developed to evaluate the optical properties of nanostructures using a GW formalism applied on top of a tight-binding and mean-field Hubbard model. The use of the GW approximation includes key parts of the many-body physics that govern the optical response of nanostructures and molecules subjected to an external electromagnetic field. Such description of the electron-electron correlation yields data that are in significantly improved agreement with experiments performed on a subset of polycyclic aromatic hydrocarbons (PAHs) considered for illustrative purpose. More generally, the method is applicable to any structure whose electronic properties can be described in first approximation within a mean-field approach and is amenable for high-throughput studies aimed at screening materials with desired optical properties