We present a numerical method to compute the transition rates including contributions from the potential energy and the entropy effect, of the thermally activated events in dislocation dynamics on the atomistic scale, based on the transition state the . . .

In this paper we use a three-dimensional Pauli master equation to investigate the charge carrier mobility of a two-phase system which can mimic donor-acceptor and amorphous-crystalline bulk heterojunctions. By taking the energetic disorder of each pha . . .

We derive simple techniques which allow us to relate Picard-Fuchs differential equations for the periods of holomorphic p-forms on certain complex manifolds, to their moduli space and its modular group (target space duality). For Calabi-Yau manifolds . . .

First-principles simulations are carried out to understand molecular structure dependence of exciton diffusion in a series of small conjugated molecules arranged in a disordered, crystalline, and blend structure. Exciton diffusion length (LD), lifetim . . .

D5h star-like CsF5, formally isoelectronic with known XeF5? ion, is computed to be a local minimum on the potential energy surface of CsF5, surrounded by reasonably large activation energies for its exothermic decomposition to CsF+2?F2, or to CsF3?(th . . .

Controlling nanoparticle (NP) surface strain, i.e. compression (or stretch) of surface atoms, is an important approach to tune NP surface chemistry and to optimize NP catalysis for chemical reactions. Here we show that surface Pt strain in the core/sh . . .

This paper is contributed to the study of the Cauchy problem. [formula here] We will study the asymptotic behavior and the semistability of the minimal positive steady state. In addition, we will prove that all slow decay positive steady states are st . . .