Phosphorene is a promising candidate for modern electronics because of the anisotropy associated with high electron-hole mobility. Additionally, superior mechanical flexibility allows the strain-engineering of various ...

Controlled spin-state switching in small molecules is of great interest for recent molecular spintronic and spin-caloritronic applications. The 3d transition metal incorporated porphyrin molecules with stable paramagnetic ...

In the present study, using density functional calculations we have investigated a possible mechanism for the structural phase transition of the semiconducting bilayer 2H-MoS2 via lithiation. The results indicate that the ...

We present results for structure and dynamics of mixtures of active and passive particles, from molecular dynamics (MD) simulations and integral equation theory (IET) calculations, for a physically motivated model. The ...

In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, ...

It has recently been demonstrated that shear deformation of frictionless sphere packings leads to structures that will undergo jamming in the presence of friction, at densities well below the isotropic jamming point phi(j) ...

Amorphous sphere packings have been intensely investigated to understand mechanical and flow behaviour of dense granular matter and to explore universal aspects of the jamming transition, from fluid to structurally arrested ...

We study a continuous time model for the frequency distribution of an infinitely large asexual population in which both beneficial and deleterious mutations occur and fitness is additive. When beneficial mutations are ...

Although mutations drive the evolutionary process, the rates at which the mutations occur are themselves subject to evolutionary forces. Our purpose here is to understand the role of selection and random genetic drift in ...

We have demonstrated engineering of the electronic band gap of the hybrid materials based on POMs (polyoxometalates), by controlling its structural complexity through variation in the conditions of synthesis. The pH- and ...